methyl 4-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0272 |
| Compound Name: | methyl 4-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccccn3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2632 |
| logD: | 2.2614 |
| logSw: | -3.1444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.035 |
| InChI Key: | BGJLZHQCBWMXSW-UHFFFAOYSA-N |