4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
기본 정보
- CAS
381693-94-3- 표준 SMILES
Cc1ccc(C2CC(c3c(C)nc4ccc(Br)cc4c3-c3ccccc3)=NN2C(=O)CCC(=O)O)cc1- InChIKey
VWMFLDOYOSVRGV-UHFFFAOYSA-N- 분자식
- C30H26BrN3O3
- 평균 분자량
- 556.4 g/mol
- 단동위원소 질량
- 555.11575
이름 및 식별자
- 우선 이름
- 4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
- IUPAC
- 4-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
이름 및 동의어
DTXSID401109700STK534506AKOS005466137381693-94-34-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acidSR-01000433785SR-01000433785-1Z571111663-(6-Bromo-2-methyl-4-phenyl-3-quinolinyl)-4,5-dihydro-5-(4-methylphenyl)-I(3)-oxo-1H-pyrazole-1-butanoic acid4-(3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
데이터베이스 식별자
- CAS
381693-94-3- PubChem CID
- 3895812
- DTXSID
DTXSID401109700
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 82.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 851
관련 반응
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