4-oxo-3-phenyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-3-phenyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-3-phenyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061204 |
| Compound Name: | 4-oxo-3-phenyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 388.45 |
| Molecular Formula: | C21 H16 N4 O2 S |
| Smiles: | C(c1cccnc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1354 |
| logD: | 2.1216 |
| logSw: | -3.0995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.638 |
| InChI Key: | HVAOCTPJSGXFKC-UHFFFAOYSA-N |