2-{2-Bromomethyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid ethyl ester
기본 정보
- 표준 SMILES
CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1CBr- InChIKey
JXSZTJDHISZMAS-UHFFFAOYSA-N- 분자식
- C25H28BrNO5
- 평균 분자량
- 502.4 g/mol
이름 및 식별자
- 우선 이름
- 2-{2-Bromomethyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid ethyl ester
- IUPAC
- ethyl 2-[2-(bromomethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoate
이름 및 동의어
SCHEMBL4890664JXSZTJDHISZMAS-UHFFFAOYSA-N2-{2-Bromomethyl-4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenoxy}-2-methyl-propionic acid ethyl ester2-{2-bromomethyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methyl-propionic acid ethyl ester2-{2-bromomethyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 23590007
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 70.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 583
관련 반응
6건
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