N-[(4-oxo-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(4-oxo-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzamide
N-[(4-oxo-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 1491-0703 |
| Compound Name: | N-[(4-oxo-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzamide |
| Molecular Weight: | 261.3 |
| Molecular Formula: | C12 H11 N3 O2 S |
| Smiles: | C(NC(c1ccccc1)=O)N1C=CC(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.381 |
| logD: | 0.3791 |
| logSw: | -2.0021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.949 |
| InChI Key: | QEYODQNJDBDVDN-UHFFFAOYSA-N |