N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
Chemical Structure Depiction of
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
Compound characteristics
| Compound ID: | D433-0814 |
| Compound Name: | N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C20 H17 N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1ccccc1)=O)c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.174 |
| logD: | -0.4786 |
| logSw: | -2.804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | GCAIOXOUMOLPPQ-UHFFFAOYSA-N |