methyl 4-oxo-3-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | Y600-1938 |
| Compound Name: | methyl 4-oxo-3-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C15 H11 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4226 |
| logD: | 2.3754 |
| logSw: | -3.1275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.392 |
| InChI Key: | FMJPZCGMUXXNPA-UHFFFAOYSA-N |