N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]benzamide
N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D524-3484 |
| Compound Name: | N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C25 H20 Cl N5 O2 S |
| Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccccc1)=O)C([H])([H])c1cccs1)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0834 |
| logD: | 5.0191 |
| logSw: | -5.3903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.548 |
| InChI Key: | UAAIXMNCQIGLGG-UHFFFAOYSA-N |