N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | D614-0042 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | [H]C([H])(c1ccc(CC)cc1)N(C(c1ccccc1OC)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3346 |
| logD: | 3.9542 |
| logSw: | -4.4371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.432 |
| InChI Key: | GKNJCVTUVNJDMU-UHFFFAOYSA-N |