methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0131 |
| Compound Name: | methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C22 H17 N3 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.696 |
| logD: | 3.696 |
| logSw: | -4.1184 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.995 |
| InChI Key: | JEOGFFXLLAPSKG-UHFFFAOYSA-N |