2-({7-[(furan-2-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-({7-[(furan-2-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
2-({7-[(furan-2-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0040 |
| Compound Name: | 2-({7-[(furan-2-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 426.41 |
| Molecular Formula: | C18 H14 N6 O5 S |
| Smiles: | C(c1ccco1)N1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0996 |
| logD: | 1.0851 |
| logSw: | -2.5432 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.622 |
| InChI Key: | LPCDRIRAOVUUKL-UHFFFAOYSA-N |