2-Methoxyethyl (2E)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihyd RO-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
기본 정보
- CAS
617697-09-3- 표준 SMILES
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2C1c1cccs1- InChIKey
VTBHBFURLDSIDS-CPNJWEJPSA-N- 분자식
- C24H24N2O6S2
- 평균 분자량
- 500.6 g/mol
- 단동위원소 질량
- 500.10757884
이름 및 식별자
- 우선 이름
- 2-Methoxyethyl (2E)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihyd RO-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
- IUPAC
- 2-methoxyethyl (2E)-2-[(2,5-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- SALOR-INT L441554-1EA
- 분자식
- C24H24N2O6S2
- 분자량
- 500.59
이름 및 동의어
617697-09-32-METHOXYETHYL (2E)-2-(2,5-DIMETHOXYBENZYLIDENE)-7-METHYL-3-OXO-5-(2-THIENYL)-2,3-DIHYD RO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARBOXYLATE2-Methoxyethyl (2E)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihyd RO-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylateRefChem:474592644-410-32-Methoxyethyl 2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateMFCD04441551STK813420AKOS002193306AKOS016067605ZINC000016730147ZINC000016730149
이름 더 보기
SALOR-INT L441554-1EA(E)-2-methoxyethyl 2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[(2,5-dimethoxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(2-thienyl)-, 2-methoxyethyl ester
COCCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cc(OC)ccc1OC)s2CC1=C(C(N2C(=O)C(=CC3=C(C=CC(=C3)OC)OC)SC2=N1)C4=CC=CS4)C(=O)OCCOC2-METHOXYETHYL (2E)-2-(2,5-DIMETHOXYBENZYLIDENE)-7-METHYL-3-OXO-5-(2-THIENYL)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE2methoxyethyl(2E)2((25dimethoxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate2methoxyethyl(2E)2(25dimethoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate2METHOXYETHYL2(25DIMETHOXYBENZYLIDENE)7METHYL3OXO5(THIOPHEN2YL)35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 889
물리화학적 성질
- 끓는 점
- 644.7 · 644.7±65.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -4.85 · -4.85±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
관련 반응
0건
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