N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
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-[(3-methoxyphenyl)methyl]-3-methylbutanamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | D614-0524 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(CC(C)C)=O)C([H])([H])c1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0381 |
| logD: | 4.9908 |
| logSw: | -4.6581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.089 |
| InChI Key: | XKVWLOPYOSPJTB-UHFFFAOYSA-N |