6-methyl-4-(4-oxo-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-4-(4-oxo-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butyl)-2H-1,4-benzoxazin-3(4H)-one
6-methyl-4-(4-oxo-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | T501-1430 |
| Compound Name: | 6-methyl-4-(4-oxo-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCCC(Cc3nncn3c3ccccc3)C1)=O)C(CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4382 |
| logD: | 2.4382 |
| logSw: | -2.7478 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.893 |
| InChI Key: | KKNOMGPTAQKZHG-OAQYLSRUSA-N |