N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
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]-4-nitrobenzamide
N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D433-1076 |
| Compound Name: | N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 448.44 |
| Molecular Formula: | C22 H20 N6 O5 |
| Smiles: | CCOc1ccc(cc1)N(Cc1nc2NC(C)=CC(n2n1)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6953 |
| logD: | 0.0426 |
| logSw: | -3.0376 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.852 |
| InChI Key: | DVMWDHPFBBNXPP-UHFFFAOYSA-N |