1-[Bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluorophenoxycarbonyl)phenyl]methylene]azetidine

HCID 22565357

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

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