methyl 2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-4818 |
| Compound Name: | methyl 2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C18 H16 N2 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1N1C(=Nc2ccccc2C1=O)S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2204 |
| logD: | -2.6543 |
| logSw: | -3.8118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.101 |
| InChI Key: | UXGQZCVEMGCLGM-UHFFFAOYSA-N |