(RS)-1-{(4-chlorophenyl)[4-(N-ethylcarbamoyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine
기본 정보
- 표준 SMILES
CCNC(=O)c1ccc(C(c2ccc(Cl)cc2)N2CC(=C(c3cc(F)cc(F)c3)S(C)(=O)=O)C2)cc1- InChIKey
GLXILTSCZKNOJQ-UHFFFAOYSA-N- 분자식
- C27H25ClF2N2O3S
- 평균 분자량
- 531 g/mol
이름 및 식별자
- 우선 이름
- (RS)-1-{(4-chlorophenyl)[4-(N-ethylcarbamoyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine
- IUPAC
- 4-[(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidin-1-yl]methyl]-N-ethylbenzamide
이름 및 동의어
SCHEMBL5075647GLXILTSCZKNOJQ-UHFFFAOYSA-N(RS)-1-{(4-chloro-phenyl)[4-(N-ethylcarbamoyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine(RS)-1-{(4-chlorophenyl)[4-(N-ethylcarbamoyl)-phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine(RS)-1-{(4-chlorophenyl)[4-(N-ethylcarbamoyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine
데이터베이스 식별자
- PubChem CID
- 10119284
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 74.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 890
관련 반응
2건
화합물 노트
불러오는 중…