N~3~-cyclopentyl-N~8~-{3-[ethyl(phenyl)amino]propyl}-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-[ethyl(phenyl)amino]propyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
N~3~-cyclopentyl-N~8~-{3-[ethyl(phenyl)amino]propyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Compound characteristics
| Compound ID: | K233-0760 |
| Compound Name: | N~3~-cyclopentyl-N~8~-{3-[ethyl(phenyl)amino]propyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 549.71 |
| Molecular Formula: | C28 H31 N5 O3 S2 |
| Smiles: | CCN(CCCNC(c1ccc2C(NC3=C(C(NC4CCCC4)=O)SC(N3c2c1)=S)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9822 |
| logD: | 3.9566 |
| logSw: | -4.162 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.725 |
| InChI Key: | JEXBPUUMFDPVKS-UHFFFAOYSA-N |