2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1516 |
| Compound Name: | 2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | CC1=C(Cc2ccc(C)cc2)C(n2c(N1)nc(CNc1cc(ccc1OC)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2636 |
| logD: | 3.1433 |
| logSw: | -4.5042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.409 |
| InChI Key: | OXRCMFMRZSZBII-UHFFFAOYSA-N |