기본 정보
- CAS
515872-86-3- 표준 SMILES
Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(F)cc4)c3C(=O)OC(C)C)c3ccccc3n2)c(C)c1- InChIKey
QHGXETABUDXQEU-UHFFFAOYSA-N- 분자식
- C33H29FN2O3S
- 평균 분자량
- 552.7 g/mol
- 단동위원소 질량
- 552.18829213
이름 및 식별자
- 우선 이름
- Isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
- 영어명
- isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
- 분자식
- C33H29FN2O3S
- 분자량
- 552.6583632
이름 및 동의어
isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylateSTK451919AKOS003301429propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylateST50941861AK-968/41927255515872-86-3isopropyl 2-(2-(2,4-dimethylphenyl)quinoline-4-carboxamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylatemethylethyl 2-{[2-(2,4-dimethylphenyl)(4-quinolyl)]carbonylamino}-4-(4-fluorop henyl)-5-methylthiophene-3-carboxylatepropan-2-yl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
515872-86-3- PubChem CID
- 3560250
물성
구조 계산 물성
- XLogP
- 8.8
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 880
화학 및 산업
공급사1 곳
SPECS[email protected]
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