Ethyl 5-(4-methoxyphenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
기본 정보
- CAS
624726-68-7- 표준 SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2C1c1ccc(OC)cc1- InChIKey
DKHKYCCMIRJUSC-CPNJWEJPSA-N- 분자식
- C24H21N3O6S
- 평균 분자량
- 479.5 g/mol
- 단동위원소 질량
- 479.11510657
이름 및 식별자
- 우선 이름
- Ethyl 5-(4-methoxyphenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
이름 및 동의어
300723-22-2Ethyl 5-(4-methoxyphenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2E)-5-(4-METHOXYPHENYL)-7-METHYL-2-(4-NITROBENZYLIDENE)-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE(E)-ethyl 5-(4-methoxyphenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateethyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateAKOS000613378AKOS016068429624726-68-7AG-690/10761053F1284-0521ethyl 2-{4-nitrobenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
624726-68-7- PubChem CID
- 5724400
- EC Number
- 688-870-3
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 923
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
관련 반응
0건
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