4-oxo-3-(2-phenylethyl)-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-3-(2-phenylethyl)-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-3-(2-phenylethyl)-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061376 |
| Compound Name: | 4-oxo-3-(2-phenylethyl)-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Smiles: | C(CN1C(c2ccc(cc2NC1=S)C(Nc1cccnc1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4326 |
| logD: | 3.4002 |
| logSw: | -3.6345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.905 |
| InChI Key: | XAAIIHOLDCCEDM-UHFFFAOYSA-N |