N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}benzamide
N-(3-chloro-4-methylphenyl)-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: | D515-0040 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}benzamide |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C21 H19 Cl N6 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(NCc1ccc(cc1)C(Nc1ccc(C)c(c1)[Cl])=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5264 |
| logD: | 3.3399 |
| logSw: | -3.9098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.465 |
| InChI Key: | ZHLSTFSZEQCJSS-UHFFFAOYSA-N |