N-[2-(3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
N-[2-(3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
N-[2-(3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | F151-0466 |
| Compound Name: | N-[2-(3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8852 |
| logD: | 2.7301 |
| logSw: | -3.6012 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.397 |
| InChI Key: | YEFXGBZBRDFDOH-UHFFFAOYSA-N |