기본 정보
- 표준 SMILES
Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)CO)C12C(=O)Nc1cc(Cl)ccc12- InChIKey
SEZFHYDPPDQVNK-UHFFFAOYSA-N- 분자식
- C29H27Cl2FN2O4
- 평균 분자량
- 557.4 g/mol
이름 및 식별자
- 우선 이름
- 6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)phenyl]-2'-[5-fluoro-2-methylphenyl]spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
- IUPAC
- 6-chloro-4'-[5-chloro-2-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
이름 및 동의어
SEZFHYDPPDQVNK-UHFFFAOYSA-N6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)-phenyl]-2'-[5-fluoro-2-methylphenyl]-spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)-phenyl]-2'-[5-fluoro-2-methylphenyl]spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)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-hydroxy-1,1-dimethyl-ethoxy)-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-hydroxy-1,1-dimethyl-ethoxy)-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-hydroxy-1,1-dimethyl-ethoxy)phenyl]-2'-[5-fluoro-2-methylphenyl]spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
데이터베이스 식별자
- PubChem CID
- 76567885
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 908
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