기본 정보
- 표준 SMILES
CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12- InChIKey
SJHZTGDJTIZMSK-KPRDSAADSA-N- 분자식
- C35H35Cl2N3O2S
- 평균 분자량
- 632.6 g/mol
개요
structure in first source
이름 및 식별자
- 우선 이름
- ZD6021
- IUPAC
- 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide
이름 및 동의어
ZD60213-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamideZD 6021ZD-6021(3-cyano-N-(2-(3,4-dichlorophenyl)-4-(4-(2-(methylsulfinyl)phenyl)piperidino)butyl)-N-methyl)naphthamide3-cyano-N-((2S)-2-(3,4-dichlorophenyl)-4-(4-(2-((S)-methylsulfinyl)phenyl)piperidin-1-yl)butyl)-N-methylnaphthalene-1-carboxamideRefChem:934492CHEMBL129683255049-08-2GTPL2109SCHEMBL7673763SCHEMBL29374317
이름 더 보기
SJHZTGDJTIZMSK-KPRDSAADSA-NBDBM50279775CID 9852253HY-118378Q27089285(S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-dichloro-phenyl)-4-[4-(2-methanesulfinyl-phenyl)-piperidin-1-yl]-butyl}-methyl-amide3-Cyano-naphthalene-1-carboxylic acid ((S)-2-(3,4-dichloro-phenyl)-4-{4-[2-((S)-methanesulfinyl)-phenyl]-piperidin-1-yl}-butyl)-methyl-amideN-[(S)-2-(3,4-Dichlorophenyl)-4-[4-[(S)-2-methylsulfinylphenyl]-1-piperidinyl]butyl]-N-methyl-3-cyano-1-naphthamide
데이터베이스 식별자
- PubChem CID
- 9852253
- ChEMBL
CHEMBL129683
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 997
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