4-(4-Dimethylamino-benzylidene)-5-phenyl-2-(4-p-tolyl-thiazol-2-yl)-2,4-dihydro-pyrazol-3-one
기본 정보
- CAS
1164523-96-9- 표준 SMILES
Cc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=C\c4ccc(N(C)C)cc4)C3=O)n2)cc1- InChIKey
ZWVNMDDIGJJGNI-JJIBRWJFSA-N- 분자식
- C28H24N4OS
- 평균 분자량
- 464.6 g/mol
이름 및 식별자
- 우선 이름
- 4-(4-Dimethylamino-benzylidene)-5-phenyl-2-(4-p-tolyl-thiazol-2-yl)-2,4-dihydro-pyrazol-3-one
- IUPAC
- (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-phenylpyrazol-3-one
- 영어명
- 4-[4-(dimethylamino)benzylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
- 분자식
- C28H24N4OS
- 분자량
- 464.58
이름 및 동의어
MLS000525290SMR0001221644-(4-Dimethylamino-benzylidene)-5-phenyl-2-(4-p-tolyl-thiazol-2-yl)-2,4-dihydro-pyrazol-3-one(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-phenylpyrazol-3-one4-[4-(dimethylamino)benzylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-oneCHEMBL1407197BDBM55375cid_5342321STK074830AKOS005391123AG-690/12767688(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-pyrazol-3-one
이름 더 보기
3H-Pyrazol-3-one, 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-2-[4-(4-methylphenyl)-2-thiazolyl]-5-phenyl-, (4E)-
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[4-(4-methylphenyl)-2-thiazolyl]-5-phenyl-3-pyrazolone(4E)-4-[4-(dimethylamino)benzylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one(4E)-4-[4-(dimethylamino)benzylidene]-5-phenyl-2-[4-(p-tolyl)thiazol-2-yl]-2-pyrazolin-3-one
데이터베이스 식별자
- CAS
1164523-96-9- ChEMBL
CHEMBL1407197
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 77 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 773
물리화학적 성질
- 끓는 점
- 656.4 · 656.4±65.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.59 · 3.59±0.24(Predicted)
관련 반응
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