N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0425 |
| Compound Name: | N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C20 H15 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(C2=C3NC(c4cc5c(cc4N3C(=S)S2)OCO5)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2382 |
| logD: | 3.2382 |
| logSw: | -3.6306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.505 |
| InChI Key: | SOUMWOLIQWMMJU-UHFFFAOYSA-N |