methyl 4-oxo-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0177 |
| Compound Name: | methyl 4-oxo-3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC(N3CCN(CC3)c3ccccn3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4411 |
| logD: | 2.4271 |
| logSw: | -3.0849 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.634 |
| InChI Key: | RFXWYBCCFVMPEC-UHFFFAOYSA-N |