2-(3,4-dimethylphenyl)-5-[(4-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-[(4-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(3,4-dimethylphenyl)-5-[(4-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0196 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-[(4-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C21 H21 N5 O |
| Smiles: | Cc1ccc(cc1)NCC1=CC(n2c(N1)nc(c1ccc(C)c(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6775 |
| logD: | 4.4739 |
| logSw: | -4.3572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.575 |
| InChI Key: | VGNZRJDHUZCQJC-UHFFFAOYSA-N |