N~8~-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N~3~-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Chemical Structure Depiction of
N~8~-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N~3~-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
N~8~-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N~3~-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Compound characteristics
| Compound ID: | K233-0761 |
| Compound Name: | N~8~-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N~3~-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 625.21 |
| Molecular Formula: | C30 H33 Cl N6 O3 S2 |
| Smiles: | C1CCC(C1)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7856 |
| logD: | 3.2418 |
| logSw: | -4.365 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.978 |
| InChI Key: | YENSNQJCQFHUSA-UHFFFAOYSA-N |