기본 정보
- CAS
877856-17-2- 표준 SMILES
Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)c1ccc(CNC(=O)C3CC3)c(F)c1)C2- InChIKey
VOEZSPDOPDPGSY-UHFFFAOYSA-N- 분자식
- C23H21ClFN5O2
- 평균 분자량
- 453.9 g/mol
이름 및 식별자
- 우선 이름
- VA-111913
- IUPAC
- N-[[4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide
- 영어명
- Cyclopropanecarboxamide, N-[[4-[(8-chloro-4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-fluorophenyl]methyl]-
- 분자식
- C23H21ClFN5O2
- 분자량
- 453.9
이름 및 동의어
VA-111913877856-17-2TH612J6Y5BUNII-TH612J6Y5BN-((4-(8-Chloro-1-methyl-4,10-dihydropyrazolo(4,3-C)(1,5)benzodiazepine-5-carbonyl)-2-fluoro-phenyl)methyl)cyclopropanecarboxamideRefChem:193455CYCLOPROPANECARBOXAMIDE, N-((4-((8-CHLORO-4,10-DIHYDRO-1-METHYLPYRAZOLO(3,4-B)(1,5)BENZODIAZEPIN-5(1H)-YL)CARBONYL)-2-FLUOROPHENYL)METHYL)-Cyclopropanecarboxamide, N-((4-((8-chloro-4,10-dihydro-1- methylpyrazolo(3,4-b)(1,5)benzodiazepin-5(1H)-yl)carbonyl)-2- fluorophenyl)methyl)-VT-913orb1699034SCHEMBL2131344VOEZSPDOPDPGSY-UHFFFAOYSA-N
이름 더 보기
VA111913VA 111913Cyclopropanecarboxamide, N-[[4-[(8-chloro-4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-fluorophenyl]methyl]-
AKOS040749733SB18670N-[[4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)-2-fluorophenyl]methyl]cyclopropanecarboxamideT29085Cyclopropanecarboxylic Acid 4-(6-chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraazabenzo[f]azulene-9-carbonyl)-2-fluoro-benzylamide
데이터베이스 식별자
- CAS
877856-17-2- PubChem CID
- 135564707
- UNII
- TH612J6Y5B
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 725
물리화학적 성질
- 끓는 점
- 752.1 · 752.1±60.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.06 · 15.06±0.20(Predicted)
화학 및 산업
공급사5 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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