N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide
N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide
Compound characteristics
| Compound ID: | D433-1097 |
| Compound Name: | N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)N(Cc1nc2NC(C)=CC(n2n1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5074 |
| logD: | 0.1202 |
| logSw: | -2.8925 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.673 |
| InChI Key: | PUTKKODWLBDDEA-UHFFFAOYSA-N |