N~8~-[(4-methylphenyl)methyl]-5-oxo-N~3~-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Chemical Structure Depiction of
N~8~-[(4-methylphenyl)methyl]-5-oxo-N~3~-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
N~8~-[(4-methylphenyl)methyl]-5-oxo-N~3~-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Compound characteristics
| Compound ID: | K233-0886 |
| Compound Name: | N~8~-[(4-methylphenyl)methyl]-5-oxo-N~3~-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CC(C)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(NCc1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.976 |
| logD: | 2.976 |
| logSw: | -3.5184 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.049 |
| InChI Key: | KNSMSOXACQUTJD-UHFFFAOYSA-N |