기본 정보
- 표준 SMILES
CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(Br)c3)cc21- InChIKey
UWIIXWIVGXAFAN-UHFFFAOYSA-N- 분자식
- C16H13BrFNO2
- 평균 분자량
- 350.18 g/mol
이름 및 식별자
- 우선 이름
- 6-(3-Bromo-5-fluorophenyl)-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
- IUPAC
- 6-(3-bromo-5-fluorophenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one
이름 및 동의어
SCHEMBL3871662UWIIXWIVGXAFAN-UHFFFAOYSA-N6-(3-bromo-5-fluorophenyl)-4,4-dimethyl-2H -benz[d][1,3]oxazin-2-one6-(3-bromo-5-fluorophenyl)-4,4-dimethyl-2H-benz[d][1,3]oxazin-2-one6-(3-bromo-5-fluorophenyl)-4,4-dimethyl-2H-benzo[d][1,3]oxazin-2-one6-(3-bromo-5-fluorophenyl)4,4-dimethyl-2H-benz[d][1,3]oxazin-2-one6-(3-bromo-5-fluoro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one6-(3-Bromo-5-fluorophenyl)-4,4-dimethyl-1,4-dihydrobenzo[d] [1,3]oxazin-2-one6-(3-bromo-5-fluorophenyl)-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one6-(3-Bromo-5-fluorophenyl)-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2one6-(3-Bromo-5-fluorophenyl)-4,4-dimethyl-1,4dihydrobenzo[d][1,3]oxazin-2-one
데이터베이스 식별자
- PubChem CID
- 9809875
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 417
관련 반응
44건
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