propan-2-yl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-methoxy-2-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

HCID 11513174
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기본 정보

표준 SMILES
COc1ccc2c(n1)C(N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(F)cc(C(F)(F)F)c1)CC(C)N2C(=O)OC(C)C
InChIKey
ORFAOINFPWZBHQ-UHFFFAOYSA-N
분자식
C31H27F10N3O4
평균 분자량
695.5 g/mol

이름 및 식별자

우선 이름
propan-2-yl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-methoxy-2-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
IUPAC
propan-2-yl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-methoxy-2-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

이름 및 동의어

SCHEMBL13987689ORFAOINFPWZBHQ-UHFFFAOYSA-Npropan-2-yl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-methoxy-2-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

데이터베이스 식별자

PubChem CID
11513174

물성

구조 계산 물성

XLogP
7.6
극성 표면적
72 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
15
회전 가능 결합 수
7
무거운 원자 수
48

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