Isobutyl (2Z)-7-methyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
기본 정보
- CAS
618078-11-8- 표준 SMILES
CC1=C(C(=O)OCC(C)C)C(c2cccs2)n2c(s/c(=C3\C(=O)N(C)c4ccccc43)c2=O)=N1- InChIKey
JSJHCPFHSKIJRZ-VZCXRCSSSA-N- 분자식
- C25H23N3O4S2
- 평균 분자량
- 493.6 g/mol
- 단동위원소 질량
- 493.11299857
이름 및 식별자
- 우선 이름
- Isobutyl (2Z)-7-methyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
- IUPAC
- 2-methylpropyl (2Z)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- SALOR-INT L426466-1EA
- 분자식
- C25H23N3O4S2
- 분자량
- 493.6
이름 및 동의어
618078-11-8isobutyl (2Z)-7-methyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateISOBUTYL (2Z)-7-METHYL-2-(1-METHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-3-OXO-5-(2-THIENYL)-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARBOXYLATERefChem:791589645-441-5Isobutyl 7-methyl-2-(1-methyl-2-oxoindolin-3-ylidene)-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateSTL200721AKOS002194059AKOS016070903ST50090792(Z)-isobutyl 7-methyl-2-(1-methyl-2-oxoindolin-3-ylidene)-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate2-methylpropyl (2Z)-7-methyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
이름 더 보기
SALOR-INT L426466-1EA2-methylpropyl (2Z)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 끓는 점
- 582 · 582.0±60.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.02 · -2.02±0.20(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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