기본 정보
- CAS
664977-41-7- 표준 SMILES
COc1cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1OC- InChIKey
JQCNAEHZGWWWHT-UHFFFAOYSA-N- 분자식
- C31H31ClN4O4
- 평균 분자량
- 559.1 g/mol
이름 및 식별자
- 우선 이름
- 4-[(3-Chloro-4,5-dimethoxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[(3-chloro-4,5-dimethoxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- 4-[(3-chloro-4,5-dimethoxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C31H31ClN4O4
- 분자량
- 559.05524
이름 및 동의어
4-[(3-chloro-4,5-dimethoxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneSTL171989AKOS0038085994-[(3-chloro-4,5-dimethoxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-oneST026154AK-968/123432734,4'-[(3-chloro-4,5-dimethoxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)4-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(3-chloro-4,5-dimethoxypheny l)methyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
데이터베이스 식별자
- CAS
664977-41-7
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 970
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