5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-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
5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-N~3~-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-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: | K233-0948 |
| Compound Name: | 5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-N~3~-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | CC(C)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(NCCCN1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8551 |
| logD: | -0.7411 |
| logSw: | -2.8343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.872 |
| InChI Key: | RWFRMXMHQNFVBR-UHFFFAOYSA-N |