N~8~-[2-(benzylsulfanyl)ethyl]-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~-[2-(benzylsulfanyl)ethyl]-N~3~-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
N~8~-[2-(benzylsulfanyl)ethyl]-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: | K233-0827 |
| Compound Name: | N~8~-[2-(benzylsulfanyl)ethyl]-N~3~-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C26 H26 N4 O3 S3 |
| Smiles: | C1CCC(C1)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(NCCSCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7344 |
| logD: | 3.7344 |
| logSw: | -4.1411 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.735 |
| InChI Key: | DEIGQQXMPWSKTE-UHFFFAOYSA-N |