2-methyl-N-[2-(3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
2-methyl-N-[2-(3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
2-methyl-N-[2-(3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | D509-0532 |
| Compound Name: | 2-methyl-N-[2-(3-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1cccc(C)c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5826 |
| logD: | 3.4275 |
| logSw: | -3.7445 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | LMYNWHYHJSMWET-UHFFFAOYSA-N |