N-(4-methylcyclohexyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-methylcyclohexyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-(4-methylcyclohexyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5429 |
| Compound Name: | N-(4-methylcyclohexyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | CC1CCC(CC1)NC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.99 |
| logD: | 4.9829 |
| logSw: | -4.5564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.572 |
| InChI Key: | IZJIIHHSJSRNQG-UHFFFAOYSA-N |