(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 5-(3-bromo-4-fluorophenyl)-4,6-dioxo-1,3,4,5,6,7,8,9-octahydro-2H-cyclopenta[b][1,7]naphthyridine-2-carboxylate

HCID 69302932
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기본 정보

표준 SMILES
C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=O)N2CC(=O)C3=C(C2)NC2=C(C(=O)CC2)C3c2ccc(F)c(Br)c2)C1
InChIKey
YHQDECBDYBEINY-SNPRYPHVSA-N
분자식
C34H36BrFN2O4
평균 분자량
635.6 g/mol

이름 및 식별자

우선 이름
(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 5-(3-bromo-4-fluorophenyl)-4,6-dioxo-1,3,4,5,6,7,8,9-octahydro-2H-cyclopenta[b][1,7]naphthyridine-2-carboxylate
IUPAC
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 5-(3-bromo-4-fluorophenyl)-4,6-dioxo-1,3,5,7,8,9-hexahydrocyclopenta[b][1,7]naphthyridine-2-carboxylate

이름 및 동의어

SCHEMBL5075556YHQDECBDYBEINY-SNPRYPHVSA-N(1R, 2S, 5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 5-(3-bromo-4-fluorophenyl)-4,6-dioxo-1,3,4,5,6,7,8,9-octahydro-2H-cyclopenta[b][1,7]naphthyridine-2-carboxylate(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 5-(3-bromo-4-fluorophenyl)-4,6-dioxo-1,3,4,5,6,7,8,9-octahydro-2H-cyclopenta[b][1,7]naphthyridine-2-carboxylate

데이터베이스 식별자

PubChem CID
69302932

물성

구조 계산 물성

XLogP
6.9
극성 표면적
75.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
5
무거운 원자 수
42

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