AC1N5VBG
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: SR-01000560167-1|F3168-2107|N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide|N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide|N-(1,3-benzodioxol-5-ylmethyl)-3-[6-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}thio)-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide|N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(6-((2-((3-methyl-1H-pyrazol-5-yl)amino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide|N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-[6-({[(5-METHYL-1H-PYRAZOL-3-YL)CARBAMOYL]METHYL}SULFANYL)-8-OXO-2H,7H,8H-[1,3]DIOXOLO[4,5-G]QUINAZOLIN-7-YL]PROPANAMIDE
| Molecular Formula | C26H24N6O7S |
|---|---|
| Molecular Weight | 564.1427 g/mol |
| LogP | 2.32272 |
| Topological Polar Surface Area | 158.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.1427 |
| Monoisotopic Mass | 564.1427 |
| Heavy Atoms | 40 |
| Complexity | 1684.3131 |
Chemical Identifiers
| CAS Number | 896705-68-3 |
|---|---|
| SMILES | CC1=CC(=NN1)NC(=O)CSC2=NC3=CC4=C(C=C3C(=O)N2CCC(=O)NCC5=CC6=C(C=C5)OCO6)OCO4 |
Product Overview
AC1N5VBG (CAS 896705-68-3), with molecular formula C26H24N6O7S and molecular weight 564.1427 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.