N-(4-bromophenyl)-4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}benzamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}benzamide
N-(4-bromophenyl)-4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}benzamide
Compound characteristics
| Compound ID: | D515-0029 |
| Compound Name: | N-(4-bromophenyl)-4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}benzamide |
| Molecular Weight: | 453.3 |
| Molecular Formula: | C20 H17 Br N6 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(NCc1ccc(cc1)C(Nc1ccc(cc1)[Br])=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9701 |
| logD: | 2.7836 |
| logSw: | -3.426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.465 |
| InChI Key: | YRBWOSBSHUAQQB-UHFFFAOYSA-N |