기본 정보
- 표준 SMILES
COC(=O)C(C)(C)COc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)Nc1cc(Cl)ccc12- InChIKey
WFSRUJGPWXWQTJ-UHFFFAOYSA-N- 분자식
- C31H29Cl2FN2O5
- 평균 분자량
- 599.5 g/mol
이름 및 식별자
- 우선 이름
- 6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
- IUPAC
- methyl 3-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2,2-dimethylpropanoate
이름 및 동의어
WFSRUJGPWXWQTJ-UHFFFAOYSA-N6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dioneracemic (2'R,3R,4'S)-6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dioneracemic (2'S,3S,4'R)-6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
데이터베이스 식별자
- PubChem CID
- 76568066
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 93.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,010
관련 반응
4건
화합물 노트
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