Methyl [3,5-bis(trifluoromethyl)benzyl][(4-cyano-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamate (HCID 11613843)

기본 정보

표준 SMILES: COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C#N)ccc1-c1cc(C(C)C)ccc1OC
InChIKey: GAHHWDHNPJYTSC-UHFFFAOYSA-N
분자식: C29H26F6N2O3
평균 분자량: 564.5 g/mol

이름 및 식별자

우선 이름: Methyl [3,5-bis(trifluoromethyl)benzyl][(4-cyano-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamate
IUPAC: methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-cyano-2-(2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]carbamate

이름 및 동의어

CHEMBL1290759Methyl [3,5-bis(trifluoromethyl)benzyl][(4-cyano-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamateSCHEMBL9886092BDBM50331762methyl 3,5-bis(trifluoromethyl)benzyl((4-cyano-5''-isopropyl-2''-methoxybiphenyl-2-yl)methyl)carbamate

데이터베이스 식별자

PubChem CID: 11613843
ChEMBL: CHEMBL1290759

물성

구조 계산 물성

XLogP: 7.3
극성 표면적: 62.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 8
무거운 원자 수: 40
형식 전하: 0
복잡도: 863

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