N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D614-0510 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H26 F N5 O3 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccc(cc1)F)=O)C([H])([H])c1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1431 |
| logD: | 4.9669 |
| logSw: | -4.9663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.345 |
| InChI Key: | CEMYBIJZXHJNDB-UHFFFAOYSA-N |