Benzoic acid, 4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-, methyl ester (HCID 45141387)

기본 정보

표준 SMILES: COC(=O)c1ccc(C2(NC(=O)c3c(C)sc(C)c3Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIKey: JCKNHRNZLPAOQK-UHFFFAOYSA-N
분자식: C26H24F3NO3S
평균 분자량: 487.5 g/mol
단동위원소 질량: 487.14289929

이름 및 식별자

우선 이름: Benzoic acid, 4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-, methyl ester
IUPAC: methyl 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoate

이름 및 동의어

1006037-11-1Benzoic acid, 4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-, methyl estermethyl 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoatemethyl 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoateSCHEMBL4090366Benzoic acid,4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-,methyl ester

데이터베이스 식별자

PubChem CID: 45141387

물성

구조 계산 물성

XLogP: 6.2
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 34
형식 전하: 0
복잡도: 740

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