4-(4-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(4-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-(4-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | T501-1348 |
| Compound Name: | 4-(4-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C28 H33 N5 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCCC(Cc3nncn3Cc3ccccc3)C1)=O)C(CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4632 |
| logD: | 2.4632 |
| logSw: | -2.7796 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.433 |
| InChI Key: | IYKFURCICVLTJB-HSZRJFAPSA-N |