N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)propanamide
Chemical Structure Depiction of
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)propanamide
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)propanamide
Compound characteristics
| Compound ID: | F151-0469 |
| Compound Name: | N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}phenyl)propanamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2701 |
| logD: | 2.115 |
| logSw: | -3.1061 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.397 |
| InChI Key: | XBVOLHHUYAQYOV-UHFFFAOYSA-N |