6-bromo-3-(1-[(2,4-dichlorophenyl)carbonyl]-5-{3-nitrophenyl}-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one
기본 정보
- CAS
327038-97-1- 표준 SMILES
O=C(c1ccc(Cl)cc1Cl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)CC1c1cccc([N+](=O)[O-])c1- InChIKey
HZXKVIALBLYYJA-UHFFFAOYSA-N- 분자식
- C31H19BrCl2N4O4
- 평균 분자량
- 662.3 g/mol
이름 및 식별자
- 우선 이름
- 6-bromo-3-(1-[(2,4-dichlorophenyl)carbonyl]-5-{3-nitrophenyl}-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one
- IUPAC
- 6-bromo-3-[2-(2,4-dichlorobenzoyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
- 영어명
- 6-bromo-3-(1-[(2,4-dichlorophenyl)carbonyl]-5-{3-nitrophenyl}-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one
- 분자식
- C31H19BrCl2N4O4
- 분자량
- 662.32
이름 및 동의어
6-bromo-3-(1-(2,4-dichlorobenzoyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one6-bromo-3-(1-[(2,4-dichlorophenyl)carbonyl]-5-{3-nitrophenyl}-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one6-bromo-3-{1-[(2,4-dichlorophenyl)carbonyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-oneSTK726760AKOS005524336AG-690/125572916-bromo-3-[2-(2,4-dichlorobenzoyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one2(1H)-Quinolinone, 6-bromo-3-[1-(2,4-dichlorobenzoyl)-4,5-dihydro-5-(3-nitrophenyl)-1H-pyrazol-3-yl]-4-phenyl-
데이터베이스 식별자
- CAS
327038-97-1
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,140
물리화학적 성질
- 밀도
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.43 · 9.43±0.70(Predicted)
관련 반응
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