4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5421 |
| Compound Name: | 4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C23 H18 N4 O4 S |
| Smiles: | C(c1ccccn1)NC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9391 |
| logD: | 2.932 |
| logSw: | -3.5761 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.39 |
| InChI Key: | OSEDGSCPMNMCGZ-UHFFFAOYSA-N |