N-[2-(3-{[2-(2-ethyl-6-methylanilino)-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-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
N-[2-(3-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0560 |
| Compound Name: | N-[2-(3-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CCc1cccc(C)c1NC(CSC1NC(C(c2ccccc2NC(C(C)C)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8914 |
| logD: | 3.7362 |
| logSw: | -3.831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.214 |
| InChI Key: | KBGVSHJAWYGLCH-UHFFFAOYSA-N |