기본 정보
- 표준 SMILES
CS(=O)(=O)[C@@H](c1cc(F)cc(F)c1)C1(O)CN([C@@H](c2ccc(Cl)cc2)c2ccc(CCl)cc2)C1- InChIKey
QHUFBESCTZLRJG-RPWUZVMVSA-N- 분자식
- C25H23Cl2F2NO3S
- 평균 분자량
- 526.4 g/mol
- 단동위원소 질량
- 525.0743765
이름 및 식별자
- 우선 이름
- 1-{(R*)-[4-(chloromethyl)phenyl](4-chlorophenyl)methyl}-3-[(S)-(3,5-difluorophenyl)(methylsulfonyl)methyl]azetidin-3-ol
- IUPAC
- 1-[(R)-[4-(chloromethyl)phenyl]-(4-chlorophenyl)methyl]-3-[(S)-(3,5-difluorophenyl)-methylsulfonylmethyl]azetidin-3-ol
이름 및 동의어
SCHEMBL3299476QHUFBESCTZLRJG-RPWUZVMVSA-N1-{(R*) -[4-(chloromethyl)phenyl] (4-chlorophenyl)methyl}-3-[(S)-(3,5-difluorophenyl)(methylsulfonyl)methyl]azetidin-3-ol1-{(R*) -[4-(chloromethyl)phenyl](4-chlorophenyl)methyl}-3-[(S)-(3,5-difluorophenyl)(methylsulfonyl)methyl]azetidin-3-ol1-{(R*)-[4-(chloromethyl)phenyl](4-chlorophenyl)-methyl}-3-[(S)-(3,5-difluorophenyl)(methylsulfonyl)-methyl]-azetidin-3-ol1-{(R*)-[4-(chloromethyl)phenyl](4-chlorophenyl)-methyl}-3-[(S)-(3,5-difluorophenyl)(methylsulfonyl)-methyl]azetidin-3-ol1-{(R*)-[4-(chloromethyl)phenyl](4-chlorophenyl)methyl}-3-[(S)-(3,5-difluorophenyl)(methylsulfonyl)methyl]azetidin-3-ol
데이터베이스 식별자
- PubChem CID
- 68586476
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 66 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 766
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