N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzenesulfonamide
Chemical Structure Depiction of
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzenesulfonamide
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzenesulfonamide
Compound characteristics
| Compound ID: | D433-0797 |
| Compound Name: | N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzenesulfonamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | CC1=CC(n2c(N1)nc(CN(c1ccc(C)cc1)S(c1ccccc1)(=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5618 |
| logD: | 0.1746 |
| logSw: | -3.0523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.549 |
| InChI Key: | VEOQBDHCUOYHKZ-UHFFFAOYSA-N |