기본 정보
- CAS
29822-07-9- 표준 SMILES
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1- InChIKey
UYAPRZNKCXVOPG-UHFFFAOYSA-N- 분자식
- C24H23N7O5S
- 평균 분자량
- 521.6 g/mol
- 단동위원소 질량
- 521.14813803
이름 및 식별자
- 우선 이름
- Ethyl 4-[(e)-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
이름 및 동의어
29822-07-9NSC114373ethyl 4-[(e)-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylateDTXSID90297129NSC-1143731H-Pyrazole-3-carboxylicacid,4-[2-[4-[[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl]phenyl]diazenyl]-4,5-dihydro-5-oxo-1-phenyl-,ethyl esterDS-003002Ethyl 4-[(E)-(4-{[(2,6-dimethylpyrimidin-4-yl)amino]sulfonyl}phenyl)diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylateethyl 4-[(E)-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]azo]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
데이터베이스 식별자
- CAS
29822-07-9- PubChem CID
- 270996
- DTXSID
DTXSID90297129
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 984
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