3-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile

HCID 59635781

기본 정보

표준 SMILES
C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O
InChIKey
CXOMXTMPKJRZRV-WRONEBCDSA-N
분자식
C29H30FN3O3
평균 분자량
487.6 g/mol
단동위원소 질량
487.22711999

이름 및 식별자

우선 이름
3-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
IUPAC
3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-2-oxo-1,3-oxazinan-6-yl]-2,2-dimethylpropanenitrile

이름 및 동의어

SCHEMBL120297CHEMBL3664699CXOMXTMPKJRZRV-WRONEBCDSA-NBDBM107645US8575157, 163-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo -1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile3-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile

데이터베이스 식별자

PubChem CID
59635781
ChEMBL
CHEMBL3664699

물성

구조 계산 물성

XLogP
4.2
극성 표면적
73.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
36

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