(S)-6-(2-Hydroxy-2-methyl-propyl)-3-{(S)-1-[4-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-ylethynyl)-phenyl]ethyl}-6-phenyl-[1,3]oxazinan-2-one

HCID 66869817
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기본 정보

표준 SMILES
C[C@@H](c1ccc(C#Cc2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O
InChIKey
HPZICAUQKNXPEN-CHJDUVSTSA-N
분자식
C30H32N2O4
평균 분자량
484.6 g/mol
단동위원소 질량
484.23620751

이름 및 식별자

우선 이름
(S)-6-(2-Hydroxy-2-methyl-propyl)-3-{(S)-1-[4-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-ylethynyl)-phenyl]ethyl}-6-phenyl-[1,3]oxazinan-2-one
IUPAC
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[2-(1-methyl-2-oxo-4-pyridinyl)ethynyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

이름 및 동의어

SCHEMBL992263HPZICAUQKNXPEN-CHJDUVSTSA-N(S)-6-(2-Hydroxy-2-methyl-propyl)-3-{(S)-1-[4-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-ylethynyl)-phenyl]ethyl}-6-phenyl-[1,3]oxazinan-2-one

데이터베이스 식별자

PubChem CID
66869817

물성

구조 계산 물성

XLogP
3.8
극성 표면적
70.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
36

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(S)-6-(2-Hydroxy-2-methyl-propyl)-3-{(S)-1-[4-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-ylethynyl)-phenyl]ethyl}-6-phenyl-[1,3]oxazinan-2-one (HCID 66869817)｜Huagongshe