기본 정보
- CAS
328271-97-2- 표준 SMILES
COc1ccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1OC- InChIKey
NEUZLHCULSSPPI-UHFFFAOYSA-N- 분자식
- C32H34N4O5
- 평균 분자량
- 554.6 g/mol
이름 및 식별자
- 우선 이름
- 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(2,3,4-trimethoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(2,3,4-trimethoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C32H34N4O5
- 분자량
- 554.63616
이름 및 동의어
4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(2,3,4-trimethoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneChemDiv1_020217MLS001203209CHEMBL1412624HMS644G21HMS2847P14STL169711AKOS0003574984-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-oneSMR000514959EU-0036234AK-968/37077090
이름 더 보기
SR-01000412960SR-01000412960-14,4'-[(2,3,4-trimethoxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
데이터베이스 식별자
- CAS
328271-97-2- ChEMBL
CHEMBL1412624
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 983
화학 및 산업
공급사1 곳
SPECS[email protected]
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