5-[(5-chloro-2-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(5-chloro-2-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0426 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 452.94 |
| Molecular Formula: | C23 H25 Cl N6 O2 |
| Smiles: | CC(C)c1ccc(CNc2nc3NC(CNc4cc(ccc4OC)[Cl])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5113 |
| logD: | 4.2254 |
| logSw: | -4.8997 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.148 |
| InChI Key: | MRXCPQHTHZVHMJ-UHFFFAOYSA-N |