N~8~-(3-methylphenyl)-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~-(3-methylphenyl)-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~-(3-methylphenyl)-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: | K233-0901 |
| Compound Name: | N~8~-(3-methylphenyl)-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: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | CC(C)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(Nc1cccc(C)c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2467 |
| logD: | 3.2466 |
| logSw: | -3.7019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.726 |
| InChI Key: | HKUZPPGVOTZIGA-UHFFFAOYSA-N |