2-[(3-chloro-2-methylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(3-chloro-2-methylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(3-chloro-2-methylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1540 |
| Compound Name: | 2-[(3-chloro-2-methylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 407.9 |
| Molecular Formula: | C22 H22 Cl N5 O |
| Smiles: | CC1=C(Cc2ccc(C)cc2)C(n2c(N1)nc(CNc1cccc(c1C)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8246 |
| logD: | 3.7043 |
| logSw: | -4.7385 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.779 |
| InChI Key: | QLSMYHNDUAMQPD-UHFFFAOYSA-N |