N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-[(4-methylphenyl)methyl]-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: | K284-5407 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | Cc1ccc(CNC(c2ccc(CN3C(c4cc5c(cc4NC3=S)OCO5)=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2723 |
| logD: | 4.2652 |
| logSw: | -4.248 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.847 |
| InChI Key: | UWLDLYFCRVMASA-UHFFFAOYSA-N |