N-(2-methylphenyl)-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-(2-methylphenyl)-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | CM4409-3730 |
| Compound Name: | N-(2-methylphenyl)-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | Cc1ccccc1NC(C1CCc2nnc(C3CCOCC3)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9982 |
| logD: | 1.9978 |
| logSw: | -2.1085 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.757 |
| InChI Key: | PCWIZSNHFBLXOO-INIZCTEOSA-N |