AC1N5VAM
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: SR-01000560157-1|F3168-2100|N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[2-(4-fluorophenyl)-2-oxoethyl]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-(4-fluorophenyl)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide|N-(1,3-benzodioxol-5-ylmethyl)-3-[6-{[2-(4-fluorophenyl)-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-(4-fluorophenyl)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C28H22FN3O7S |
|---|---|
| Molecular Weight | 563.1163 g/mol |
| LogP | 3.6745 |
| Topological Polar Surface Area | 117.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 563.1163 |
| Monoisotopic Mass | 563.1163 |
| Heavy Atoms | 40 |
| Complexity | 1690.6235 |
Chemical Identifiers
| CAS Number | 896705-35-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)C6=CC=C(C=C6)F)OCO5 |
Product Overview
AC1N5VAM (CAS 896705-35-4), with molecular formula C28H22FN3O7S and molecular weight 563.1163 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.