1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
기본 정보
- CAS
380218-21-3- 표준 SMILES
Cc1nc(SCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c2c3c(sc2n1)CCC3- InChIKey
ABJJBJPYYCXQPM-UHFFFAOYSA-N- 분자식
- C24H21ClFN3OS2
- 평균 분자량
- 486 g/mol
이름 및 식별자
- 우선 이름
- 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
- IUPAC
- 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone
- 영어명
- 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
- 분자식
- C24H21ClFN3OS2
- 분자량
- 486.0244432
이름 및 동의어
1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoneAKOS001022377UPCMLD0ENAT0506-7189:001ST50050742AF-399/40714321Z202341251-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methyl(5,6,7-trih ydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-ylthio))ethan-1-one1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone
데이터베이스 식별자
- CAS
380218-21-3
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 704
관련 반응
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