2-{[(4-chlorophenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0084 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 394.86 |
| Molecular Formula: | C20 H19 Cl N6 O |
| Smiles: | Cc1cccc(c1)NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5146 |
| logD: | 3.2287 |
| logSw: | -3.8511 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.215 |
| InChI Key: | VBEJNLJKAHBTRM-UHFFFAOYSA-N |