[3,5-Bis(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amine

HCID 59343883

기본 정보

표준 SMILES
COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
JPWZVXINMOATKG-UHFFFAOYSA-N
분자식
C27H24F9NO
평균 분자량
549.5 g/mol

이름 및 식별자

우선 이름
[3,5-Bis(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amine
IUPAC
1-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]methanamine

이름 및 동의어

[3,5-bis(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amineSCHEMBL130307(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amine

데이터베이스 식별자

PubChem CID
59343883

물성

구조 계산 물성

XLogP
8.2
극성 표면적
21.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
7
무거운 원자 수
38

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19건

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