2-methyl-N-{2-[3-({2-[(naphthalen-1-yl)amino]-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-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
2-methyl-N-{2-[3-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
Compound characteristics
| Compound ID: | D509-0561 |
| Compound Name: | 2-methyl-N-{2-[3-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1cccc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7917 |
| logD: | 3.6365 |
| logSw: | -3.9246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.641 |
| InChI Key: | VKEFPJVUGBVSAW-UHFFFAOYSA-N |