N-benzyl-4-(hydroxymethyl)-6-methyl-2-sulfanylidene-1,2-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(hydroxymethyl)-6-methyl-2-sulfanylidene-1,2-dihydropyridine-3-carboxamide
N-benzyl-4-(hydroxymethyl)-6-methyl-2-sulfanylidene-1,2-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8017-9887 |
| Compound Name: | N-benzyl-4-(hydroxymethyl)-6-methyl-2-sulfanylidene-1,2-dihydropyridine-3-carboxamide |
| Molecular Weight: | 288.37 |
| Molecular Formula: | C15 H16 N2 O2 S |
| Smiles: | CC1=CC(CO)=C(C(NCc2ccccc2)=O)C(N1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.5612 |
| logD: | -0.2715 |
| logSw: | -2.0572 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.418 |
| InChI Key: | LFVPQCLSGIFXJN-UHFFFAOYSA-N |