3-[(S)-1-(4-Bromo-2-methyl-phenyl)-ethyl]-(S)-6-(2-methyl-oxiranylmethyl)-6-phenyl-[1,3]oxazinan-2-one
기본 정보
- 표준 SMILES
Cc1cc(Br)ccc1[C@H](C)N1CC[C@](CC2(C)CO2)(c2ccccc2)OC1=O- InChIKey
WLRQJIPGIWCXTN-XHLMSTEBSA-N- 분자식
- C23H26BrNO3
- 평균 분자량
- 444.4 g/mol
이름 및 식별자
- 우선 이름
- 3-[(S)-1-(4-Bromo-2-methyl-phenyl)-ethyl]-(S)-6-(2-methyl-oxiranylmethyl)-6-phenyl-[1,3]oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-(4-bromo-2-methylphenyl)ethyl]-6-[(2-methyloxiran-2-yl)methyl]-6-phenyl-1,3-oxazinan-2-one
이름 및 동의어
SCHEMBL115825WLRQJIPGIWCXTN-XHLMSTEBSA-N3-[(S)-1-(4-Bromo-2-methyl-phenyl)-ethyl]-(S)-6-(2-methyl-oxiranylmethyl) -6-phenyl-[1,3]oxazinan-2-one3-[(S)-1-(4-Bromo-2-methyl-phenyl)-ethyl]-(S)-6-(2-methyl-oxiranylmethyl)-6-phenyl-[1,3]oxazinan-2-one
데이터베이스 식별자
- PubChem CID
- 58102391
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 42.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 580
관련 반응
10건
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