N~8~-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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: | K233-0895 |
| Compound Name: | N~8~-(4-fluorophenyl)-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: | 456.52 |
| Molecular Formula: | C21 H17 F N4 O3 S2 |
| Smiles: | CC(C)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(Nc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9158 |
| logD: | 2.9072 |
| logSw: | -3.8052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.726 |
| InChI Key: | ACEOSXHZNHMQSS-UHFFFAOYSA-N |