4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzene-1-sulfonamide
4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D433-1099 |
| Compound Name: | 4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 473.94 |
| Molecular Formula: | C21 H20 Cl N5 O4 S |
| Smiles: | CCOc1ccc(cc1)N(Cc1nc2NC(C)=CC(n2n1)=O)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2872 |
| logD: | 0.9 |
| logSw: | -3.7777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.673 |
| InChI Key: | TTWTZNHBQNACRV-UHFFFAOYSA-N |