N-[2-(3-{[2-(2-ethylanilino)-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-(2-ethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
N-[2-(3-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0546 |
| Compound Name: | N-[2-(3-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CCc1ccccc1NC(CSC1NC(C(c2ccccc2NC(C(C)C)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7222 |
| logD: | 3.5671 |
| logSw: | -3.8592 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.912 |
| InChI Key: | VPVBVWJQNQSAQP-UHFFFAOYSA-N |