기본 정보
- CAS
752239-85-3- 표준 SMILES
C[C@@H](CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2ccn(C)n2)c1- InChIKey
RIIDAVMUCMIWKP-AWEZNQCLSA-N- 분자식
- C21H23N3O6S
- 평균 분자량
- 445.5 g/mol
- 단동위원소 질량
- 445.13075646
이름 및 식별자
- 우선 이름
- 3-(((1S)-2-Hydroxy-1-methylethyl)oxy)-N-(1-methyl-1H-pyrazol-3-yl)-5-(4-(methylsulfonyl)phenoxy)benzamide
- IUPAC
- 3-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)benzamide
- 영어명
- Benzamide, 3-[(1S)-2-hydroxy-1-methylethoxy]-N-(1-methyl-1H-pyrazol-3-yl)-5-[4-(methylsulfonyl)phenoxy]-
- 분자식
- C21H23N3O6S
- 분자량
- 445.49
이름 및 동의어
752239-85-3AZD63703-(((1S)-2-Hydroxy-1-methylethyl)oxy)-N-(1-methyl-1H-pyrazol-3-yl)-5-(4-(methylsulfonyl)phenoxy)benzamideAZD-6370Z7H4089VLOUNII-Z7H4089VLO3-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)benzamideBenzamide, 3-((1S)-2-hydroxy-1-methylethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-5-(4-(methylsulfonyl)phenoxy)-RIIDAVMUCMIWKP-AWEZNQCLSA-Norb1701126SCHEMBL2659206SCHEMBL29395307
이름 더 보기
AZD 6370Benzamide, 3-[(1S)-2-hydroxy-1-methylethoxy]-N-(1-methyl-1H-pyrazol-3-yl)-5-[4-(methylsulfonyl)phenoxy]-
AZD 6370 [WHO-DD]DTXSID501382658GLXC-25383AKOS040747895CS-0066057T26718Q272951073-[(1S)-2-Hydroxy-1-methylethoxy]-N-(1-methyl-1H-pyrazol-3-yl)-5-[4-(methylsulfonyl)phenoxy]benzamide
데이터베이스 식별자
- CAS
752239-85-3- PubChem CID
- 11525116
- DTXSID
DTXSID501382658- UNII
- Z7H4089VLO
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 692
물리화학적 성질
- 끓는 점
- 626.4 · 626.4±55.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.28 · 12.28±0.70(Predicted)
화학 및 산업
공급사3 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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