methyl 4,5-dimethyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate
methyl 4,5-dimethyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-4844 |
| Compound Name: | methyl 4,5-dimethyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate |
| Molecular Weight: | 346.42 |
| Molecular Formula: | C16 H14 N2 O3 S2 |
| Smiles: | Cc1c(C(=O)OC)c(N2C(=Nc3ccccc3C2=O)S)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.7628 |
| logD: | -3.1119 |
| logSw: | -3.3766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.18 |
| InChI Key: | HPEFCISLMYDVRX-UHFFFAOYSA-N |