기본 정보
- 표준 SMILES
CC1CCC(N(CCOCc2ccccc2Cl)C(=O)Nc2ncc(SCC(C)(C)C(=O)O)s2)CC1- InChIKey
DHKINTHBAXWWHF-UHFFFAOYSA-N- 분자식
- C25H34ClN3O4S2
- 평균 분자량
- 540.1 g/mol
이름 및 식별자
- 우선 이름
- 3-{2-[3-[2-(2-Chloro-benzyloxy)-ethyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid
- IUPAC
- 3-[[2-[[2-[(2-chlorophenyl)methoxy]ethyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]-2,2-dimethylpropanoic acid
이름 및 동의어
SCHEMBL1241276SCHEMBL2656428DHKINTHBAXWWHF-UAPYVXQJSA-N3-{2-[3-[2-(2-chloro-benzyloxy)-ethyl]-3-(trans-4-methyl -cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid3-{2-[3-[2-(2-Chloro-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid3-{2-[3-[2-(2-chloro-benzyloxy)-ethyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid3-{2-[3-[2-(2-Chlorobenzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid
데이터베이스 식별자
- PubChem CID
- 24987101
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 694
관련 반응
7건
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