3-{2-[3-[2-(2-Chloro-benzyloxy)-ethyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid

HCID 24987101

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

관련 반응

7건

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