4-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzene-1-sulfonamide
4-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D433-1048 |
| Compound Name: | 4-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CC1=CC(n2c(N1)nc(CN(c1cccc(C)c1)S(c1ccc(C)cc1)(=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2146 |
| logD: | 0.8274 |
| logSw: | -3.4342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.549 |
| InChI Key: | KZOXKYGJHPZPIM-UHFFFAOYSA-N |