N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)-2-methylpropanamide
Chemical Structure Depiction of
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)-2-methylpropanamide
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0518 |
| Compound Name: | N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)-2-methylpropanamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0309 |
| logD: | 2.8758 |
| logSw: | -3.721 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | YLNUXXQFCRYVNF-UHFFFAOYSA-N |