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

HCID 11261706
부분 구조 검색유사 구조 찾기

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)ccc1OC
InChIKey
UAWNEPYRVGRNHS-UHFFFAOYSA-N
분자식
C27H22F9NO3
평균 분자량
579.5 g/mol
단동위원소 질량
579.14559702

이름 및 식별자

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

이름 및 동의어

CHEMBL1289871Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-methoxy-5'-methyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamateSCHEMBL3729635BDBM50331750methyl 3,5-bis(trifluoromethyl)benzyl((2''-methoxy-5''-methyl-4-(trifluoromethyl)biphenyl-2-yl)methyl)carbamateMethyl[3,5-bis(trifluoromethyl)benzyl]{[2'-methoxy-5'-methyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate

데이터베이스 식별자

PubChem CID
11261706
ChEMBL
CHEMBL1289871

물성

구조 계산 물성

XLogP
7.7
극성 표면적
38.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
12
회전 가능 결합 수
7
무거운 원자 수
40

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