2-{[(4-methoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-methoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-methoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0234 |
| Compound Name: | 2-{[(4-methoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | Cc1cccc(c1)NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9022 |
| logD: | 2.6163 |
| logSw: | -3.2793 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.759 |
| InChI Key: | XMBKIWDQXMVILP-UHFFFAOYSA-N |