3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
Chemical Structure Depiction of
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
Compound characteristics
| Compound ID: | D481-0068 |
| Compound Name: | 3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C24 H25 Cl N6 O2 |
| Smiles: | CCc1ccc(cc1)NC(CCC1=C(C)Nc2nc(NCc3ccc(cc3)[Cl])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2791 |
| logD: | 4.2359 |
| logSw: | -4.4058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.77 |
| InChI Key: | DWBCBLOVPWHSGI-UHFFFAOYSA-N |