rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2-cyclopropyl-2-methyl-propyl)-pyrrolidine-2-carboxylic acid methyl ester
기본 정보
- 표준 SMILES
COC(=O)C1NC(CC(C)(C)C2CC2)C(C#N)(c2ccc(Cl)cc2F)C1c1cccc(Cl)c1F- InChIKey
QSXYKGFUMUDHTF-UHFFFAOYSA-N- 분자식
- C26H26Cl2F2N2O2
- 평균 분자량
- 507.4 g/mol
이름 및 식별자
- 우선 이름
- rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2-cyclopropyl-2-methyl-propyl)-pyrrolidine-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2-cyclopropyl-2-methylpropyl)pyrrolidine-2-carboxylate
이름 및 동의어
SCHEMBL2152657QSXYKGFUMUDHTF-UHFFFAOYSA-Nrac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2-cyclopropyl-2-methyl-propyl)-pyrrolidine-2-carboxylic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 67297219
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 62.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 816
관련 반응
3건
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