N-[2-(3-{[2-(4-acetylanilino)-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-(4-acetylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
N-[2-(3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0538 |
| Compound Name: | N-[2-(3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1)C(C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7648 |
| logD: | 2.6096 |
| logSw: | -3.4668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.437 |
| InChI Key: | HVOVWLOKUSVTHD-UHFFFAOYSA-N |