{2-[3-[4-(3-Fluoro-4-methoxy-phenyl)-4-hydroxy-butyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid
기본 정보
- 표준 SMILES
COc1ccc(C(O)CCCN(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCC(C)CC2)cc1F- InChIKey
AMBCCXGARSYGCQ-UHFFFAOYSA-N- 분자식
- C24H32FN3O5S2
- 평균 분자량
- 525.7 g/mol
- 단동위원소 질량
- 525.17674164
이름 및 식별자
- 우선 이름
- {2-[3-[4-(3-Fluoro-4-methoxy-phenyl)-4-hydroxy-butyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid
- IUPAC
- 2-[[2-[[[4-(3-fluoro-4-methoxyphenyl)-4-hydroxybutyl]-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid
이름 및 동의어
SCHEMBL2656199SCHEMBL2656201AMBCCXGARSYGCQ-JTQDMSAYSA-N{2-[3-[4-(3-Fluoro-4-methoxy-phenyl)-4-hydroxy-butyl]-3-(trans-4-methyl-cyclohexyl) -ureido]-thiazol-5-ylsulfanyl}-acetic acid{2-[3-[4-(3-Fluoro-4-methoxy-phenyl)-4-hydroxy-butyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid{2-[3-[4-(3-Fluoro-4-methoxy-phenyl)-4-hydroxy-butyl]-3-(trans-4-methyl-cyclohexyl)ureido]-thiazol-5-ylsulfanyl}-acetic acid
데이터베이스 식별자
- PubChem CID
- 24991874
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 686
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