기본 정보
- CAS
315710-23-7- 표준 SMILES
Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC(C)C4)c(C)n1-c1ccccc1- InChIKey
YHFCGMJZMRBKBG-UHFFFAOYSA-N- 분자식
- C31H29N3O2S2
- 평균 분자량
- 539.7 g/mol
- 단동위원소 질량
- 539.17011952
이름 및 식별자
- 우선 이름
- 2-[2-(2,5-Dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- 영어명
- 2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- 분자식
- C31H29N3O2S2
- 분자량
- 539.71086
이름 및 동의어
2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-oneAKOS001053545AKOS0160743502-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-oneUPCMLD0ENAT0513-7820:001ST50050974AF-399/15334034Z139626932-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethylthio]-7-methyl-3-phenyl-3,5, 6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]thio}-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
데이터베이스 식별자
- CAS
315710-23-7- PubChem CID
- 3571309
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 915
화학 및 산업
공급사2 곳
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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