1-[6-(4-{(S)-1-[(S)-6-(2-Hydroxy-2-methyl-propyl)-2-oxo-6-phenyl-[1,3]oxazinan-3-yl]-ethyl}-phenyl)-pyridin-2-yl]-cyclopropanecarboxylic acid methylamide
기본 정보
- 표준 SMILES
CNC(=O)C1(c2cccc(-c3ccc([C@H](C)N4CC[C@](CC(C)(C)O)(c5ccccc5)OC4=O)cc3)n2)CC1- InChIKey
BJMCIZLATOAPSK-ICACTRECSA-N- 분자식
- C32H37N3O4
- 평균 분자량
- 527.7 g/mol
이름 및 식별자
- 우선 이름
- 1-[6-(4-{(S)-1-[(S)-6-(2-Hydroxy-2-methyl-propyl)-2-oxo-6-phenyl-[1,3]oxazinan-3-yl]-ethyl}-phenyl)-pyridin-2-yl]-cyclopropanecarboxylic acid methylamide
- IUPAC
- 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-2-pyridinyl]-N-methylcyclopropane-1-carboxamide
이름 및 동의어
SCHEMBL12071427BJMCIZLATOAPSK-ICACTRECSA-N1-[6-(4-{(S)-1-[(S)-6-(2-Hydroxy-2-methyl-propyl)-2-oxo-6-phenyl-[1,3]oxazinan-3-yl]-ethyl}-phenyl)-pyridin-2-yl]-cyclopropanecarboxylic acid methylamide
데이터베이스 식별자
- PubChem CID
- 70651379
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 91.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 875
관련 반응
2건
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