Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-methoxy-5'-(2,2,2-trifluoro-1-hydroxyethyl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate

HCID 11542018

기본 정보

표준 SMILES
COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(O)C(F)(F)F)ccc1OC
InChIKey
KOHRYBWPCAIIMA-UHFFFAOYSA-N
분자식
C28H21F12NO4
평균 분자량
663.4 g/mol

이름 및 식별자

우선 이름
Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-methoxy-5'-(2,2,2-trifluoro-1-hydroxyethyl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate
IUPAC
methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[2-methoxy-5-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-5-(trifluoromethyl)phenyl]methyl]carbamate

이름 및 동의어

Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-methoxy-5'-(2,2,2-trifluoro-1-hydroxyethyl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamateSCHEMBL9885302

데이터베이스 식별자

PubChem CID
11542018

물성

구조 계산 물성

XLogP
7.6
극성 표면적
59 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
16
회전 가능 결합 수
8
무거운 원자 수
45

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6건

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