N-[(4-ethylphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
N-[(4-ethylphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Compound characteristics
| Compound ID: | F616-0823 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C27 H25 N3 O2 S |
| Smiles: | CCc1ccc(CNC(c2ccc(cc2)N2C(C=CC(=N2)Sc2ccc(C)cc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6426 |
| logD: | 5.6425 |
| logSw: | -5.3975 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.961 |
| InChI Key: | DIGCUPQLQKDBJS-UHFFFAOYSA-N |