N-[2-(3-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide
N-[2-(3-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide
Compound characteristics
| Compound ID: | F151-0249 |
| Compound Name: | N-[2-(3-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | Cc1ccc(c(c1)C1C(NC(=NN=1)SCC(Nc1ccc(C)c(C)c1)=O)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9154 |
| logD: | 4.8344 |
| logSw: | -4.5188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.339 |
| InChI Key: | RJCMMGSKPFROHB-UHFFFAOYSA-N |