N~3~-cyclopentyl-N~8~-(3-methylbutyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Chemical Structure Depiction of
N~3~-cyclopentyl-N~8~-(3-methylbutyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
N~3~-cyclopentyl-N~8~-(3-methylbutyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Compound characteristics
| Compound ID: | K233-0169 |
| Compound Name: | N~3~-cyclopentyl-N~8~-(3-methylbutyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | CC(C)CCNC(c1ccc2C(NC3=C(C(NC4CCCC4)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3024 |
| logD: | 3.3024 |
| logSw: | -3.8978 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.007 |
| InChI Key: | BATAARNTOMCHOB-UHFFFAOYSA-N |