N-[4-methyl-2-(5-oxo-3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
N-[4-methyl-2-(5-oxo-3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
N-[4-methyl-2-(5-oxo-3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | J041-0228 |
| Compound Name: | N-[4-methyl-2-(5-oxo-3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCC(Nc1c(C)cc(C)cc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.226 |
| logD: | 3.1918 |
| logSw: | -3.2907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.001 |
| InChI Key: | NAIRVUGBOVWXSM-UHFFFAOYSA-N |