기본 정보
- 표준 SMILES
CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccc(Br)cc3)oc2C)cc1- InChIKey
SMVLDNUJSZVHQF-UHFFFAOYSA-N- 분자식
- C24H26BrNO5
- 평균 분자량
- 488.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(4-{2-[2-(4-Bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methylpropionic acid ethyl ester
- IUPAC
- ethyl 2-[4-[2-[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
이름 및 동의어
2-(4-(2-[2-(4-Bromophenyl)-5-methyloxazol-4-yl]ethoxy)phenoxy)-2-methyl propionic acid ethyl ester2-(4-{2-[2-(4-bromo-phenyl)-5-methyl-oxazol-4-yl]-ethoxy)-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromo-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methyl propionic acid ethyl esterSCHEMBL5099380SMVLDNUJSZVHQF-UHFFFAOYSA-N2-(4-{2-[2-(4-bromo-phenyl)-5-methyloxazol-4-yl]-ethoxy}-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyl-oxazol-4-yl]-ethoxy}-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}-phenoxy)-2-methylpropionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methylpropionic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 11027342
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 70.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 558
관련 반응
67건
연결된 노트
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