N~3~-cyclopentyl-5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N~3~-cyclopentyl-5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide--hydrogen chloride (1/1)
N~3~-cyclopentyl-5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K233-0810 |
| Compound Name: | N~3~-cyclopentyl-5-oxo-N~8~-[3-(piperidin-1-yl)propyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 550.14 |
| Molecular Formula: | C25 H31 N5 O3 S2 |
| Salt: | HCl |
| Smiles: | C1CCN(CC1)CCCNC(c1ccc2C(NC3=C(C(NC4CCCC4)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5785 |
| logD: | -0.0178 |
| logSw: | -3.2699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.718 |
| InChI Key: | RKANJQLQGVQDQW-UHFFFAOYSA-N |