N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | D614-0562 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C26 H26 N6 O3 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccc(cc1)OC)=O)C([H])([H])c1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6954 |
| logD: | 4.5193 |
| logSw: | -4.2991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.401 |
| InChI Key: | ZJJBMENOOHGKPB-UHFFFAOYSA-N |