5-(2-Chloro-5-trifluoromethyl-phenyl)-1-((1RS,2RS)-2-hydroxy-cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylic acid cyclohexylamide

HCID 10074576

기본 정보

표준 SMILES
Cc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1CCCCC1O
InChIKey
NBUOUESZGOJHIJ-UHFFFAOYSA-N
분자식
C26H32ClF3N2O2
평균 분자량
497 g/mol
단동위원소 질량
496.2104404

이름 및 식별자

우선 이름
5-(2-Chloro-5-trifluoromethyl-phenyl)-1-((1RS,2RS)-2-hydroxy-cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylic acid cyclohexylamide
IUPAC
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclohexyl-1-[(2-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide

이름 및 동의어

5-(2-Chloro-5-trifluoromethyl-phenyl)-1-((1RS,2RS)-2-hydroxy-cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylic acid cyclohexylamideSCHEMBL39274435-(2-Chloro-5-trifluoromethyl-phenyl)-1-((1SR,2RS)-2-hydroxy-cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylic acid cyclohexylamide

데이터베이스 식별자

PubChem CID
10074576

물성

구조 계산 물성

XLogP
6.3
극성 표면적
54.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
34

관련 반응

4건

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