4-[[4-(benzyloxy)-3-ethoxyphenyl](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
기본 정보
- CAS
353477-85-7- 표준 SMILES
CCOc1cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccccc1- InChIKey
YTGCYNDNYWWEOO-UHFFFAOYSA-N- 분자식
- C38H38N4O4
- 평균 분자량
- 614.7 g/mol
이름 및 식별자
- 우선 이름
- 4-[[4-(benzyloxy)-3-ethoxyphenyl](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
- IUPAC
- 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- 4-[[4-(benzyloxy)-3-ethoxyphenyl](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
- C38H38N4O4
- 분자량
- 614.73272
이름 및 동의어
4-[[4-(benzyloxy)-3-ethoxyphenyl](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-oneCHEMBL4892812STK509045AKOS0003545344-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-oneAK-968/121642994,4'-{[4-(benzyloxy)-3-ethoxyphenyl]methanediyl}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
데이터베이스 식별자
- CAS
353477-85-7- ChEMBL
CHEMBL4892812
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,090
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