기본 정보
- 표준 SMILES
CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1- InChIKey
DETAHYJTYKYBOM-UHFFFAOYSA-N- 분자식
- C31H20Cl2F5NO4S
- 평균 분자량
- 668.5 g/mol
이름 및 식별자
- 우선 이름
- 1-[Bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluorophenoxycarbonyl)phenyl]methylene]azetidine
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-methylsulfonylmethyl]benzoate
이름 및 동의어
1-[bis(4-chloro-phenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluoro-phenoxycarbonyl)phenyl]methylene]azetidine1-[bis(4-chloro-phenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluoro-phenoxycarbonyl)phenyl]methylene}azetidine1-[bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluorophenoxycarbonyl)phenyl]methylene]azetidine1-[bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluorophenoxycarbonyl)phenyl]methylene}azetidineSCHEMBL6011471DETAHYJTYKYBOM-UHFFFAOYSA-N1-[bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluorophenoxycarbonyl)phenyl]methylene}azetidin
데이터베이스 식별자
- PubChem CID
- 22565357
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 72.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,110
관련 반응
5건
화합물 노트
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