6-benzyl-2-{[(4-butoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(4-butoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-{[(4-butoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0578 |
| Compound Name: | 6-benzyl-2-{[(4-butoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | CCCCOc1ccc(CNc2nc3NC(C)=C(Cc4ccccc4)C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7233 |
| logD: | 4.7117 |
| logSw: | -4.4542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.038 |
| InChI Key: | UZGDLNDJBZJQRD-UHFFFAOYSA-N |