3-(3,5-bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-[4-(2-2H-tetrazol-5-yl-acetyl)-benzyl]urea (HCID 18768899)

기본 정보

표준 SMILES: CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Cc3nn[nH]n3)cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIKey: OWHNAANMSUOMRP-UHFFFAOYSA-N
분자식: C29H32F6N6O2
평균 분자량: 610.6 g/mol

이름 및 식별자

우선 이름: 3-(3,5-bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-[4-(2-2H-tetrazol-5-yl-acetyl)-benzyl]urea
IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-tert-butylcyclohexyl)-1-[[4-[2-(2H-tetrazol-5-yl)acetyl]phenyl]methyl]urea

이름 및 동의어

3-(3,5-bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-[4-(2-2H-tetrazol-5-yl-acetyl)-benzyl]ureaSCHEMBL26438383-(3,5-bis(trifluoromethyl)phenyl)-1-(4-tert-butyl-cyclohexyl)-1-[4-(2-2 H-tetrazol-5-yl-acetyl)-benzyl]urea3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-tert-butylcvclohexyl)-1-[4-(2-2H-tetrazol-5-yl-acetyl)benzyl]urea3-(3,5-bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-[4-(2-2h-tetrazol-5-yl-acetyl)benzyl]urea

데이터베이스 식별자

PubChem CID: 18768899

물성

구조 계산 물성

XLogP: 6.5
극성 표면적: 104 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 11
회전 가능 결합 수: 8
무거운 원자 수: 43
형식 전하: 0
복잡도: 919

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