기본 정보
- 표준 SMILES
CC(C)(C)CC1NC(C(=O)Nc2ccn(CCO[Si](C)(C)C(C)(C)C)c(=O)c2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F- InChIKey
OLJJBUZOYVMXSU-UHFFFAOYSA-N- 분자식
- C36H44Cl2F2N4O3Si
- 평균 분자량
- 717.7 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-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid {1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-2-oxo-1,2-dihydro-pyridin-4-yl)-amide
- IUPAC
- N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
이름 및 동의어
OLJJBUZOYVMXSU-UHFFFAOYSA-Nrac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid {1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-2-oxo-1,2-dihydro-pyridin-4-yl)-amide
데이터베이스 식별자
- PubChem CID
- 72243958
물성
구조 계산 물성
- 극성 표면적
- 94.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,310
관련 반응
4건
화합물 노트
불러오는 중…