rac-(2R,3R,4R,5S)-3-(3-Chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-2-methyl-pyrrolidine-2-carboxylic acid tert-butyl ester
기본 정보
- 표준 SMILES
CC(C)(C)CC1NC(C)(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1- InChIKey
IKLPFRVZRBBFJO-UHFFFAOYSA-N- 분자식
- C28H34Cl2N2O2
- 평균 분자량
- 501.5 g/mol
이름 및 식별자
- 우선 이름
- rac-(2R,3R,4R,5S)-3-(3-Chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-2-methyl-pyrrolidine-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-2-methylpyrrolidine-2-carboxylate
이름 및 동의어
SCHEMBL2151464IKLPFRVZRBBFJO-UHFFFAOYSA-Nrac-(2R,3R,4R,5S)-3-(3-Chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-2-methyl-pyrrolidine-2-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 67296796
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 62.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 786
관련 반응
2건
화합물 노트
불러오는 중…