6-[(1-methylethyl)sulfonyl]-3-{[3-methyl-4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamide

HCID 53476792
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기본 정보

표준 SMILES
CC1CN(Cc2c(-c3cccc(C(F)(F)F)c3)nc3ccc(S(=O)(=O)C(C)C)cc3c2C(=O)N[C@H](c2ccccc2)C(F)(F)F)CCC1N1CCOCC1
InChIKey
PKJYVSDXVOOCEH-YFGIIPPGSA-N
분자식
C39H42F6N4O4S
평균 분자량
776.8 g/mol

이름 및 식별자

우선 이름
6-[(1-methylethyl)sulfonyl]-3-{[3-methyl-4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamide
IUPAC
3-[(3-methyl-4-morpholin-4-ylpiperidin-1-yl)methyl]-6-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide

이름 및 동의어

6-[(1-methylethyl)sulfonyl]-3-{[3-methyl-4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamideSCHEMBL6899348

데이터베이스 식별자

PubChem CID
53476792

물성

구조 계산 물성

XLogP
7.2
극성 표면적
100 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
13
회전 가능 결합 수
9
무거운 원자 수
54

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