5-(4'-(1-(Ethoxycarbonyl)cyclopropyl)biphenyl-4-yl)-3-methylisoxazole-4-carboxylic acid
기본 정보
- 표준 SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(=O)O)cc3)cc2)CC1- InChIKey
FAZJTRAPSYVUNB-UHFFFAOYSA-N- 분자식
- C23H21NO5
- 평균 분자량
- 391.4 g/mol
이름 및 식별자
- 우선 이름
- 5-(4'-(1-(Ethoxycarbonyl)cyclopropyl)biphenyl-4-yl)-3-methylisoxazole-4-carboxylic acid
- IUPAC
- 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
이름 및 동의어
SCHEMBL342705FAZJTRAPSYVUNB-UHFFFAOYSA-NDB-4134405-(4'-(1-(ethoxycarbonyl)cyclopropyl)biphenyl-4-yl)-3-methylisoxazole-4-carboxylic acid5-[4'-(1-Ethoxycarbonyl-cyclopropyl)-biphenyl-4-yl]-3-methyl-isoxazole-4-carboxylic acid1257214-10-05-(4'-(1-(ethoxycarbonyl)cyclopropyl)-[1,1'-biphenyl]-4-yl)-3-methylisoxazole-4-carboxylic acid5-[4'-[1-(Ethoxycarbonyl)cyclopropyl][1,1'-biphenyl]-4-yl]-3-methyl-4-isoxazolecarboxylic acid
데이터베이스 식별자
- PubChem CID
- 66660277
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 89.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 602
관련 반응
6건
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