N-(2-ethoxyphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(2-ethoxyphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0150 |
| Compound Name: | N-(2-ethoxyphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CCOc1ccccc1NC(C1CCCCC2=NN(CC(C)C)C(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6037 |
| logD: | 3.6034 |
| logSw: | -3.6527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.095 |
| InChI Key: | KSFBYESJUXIMPK-INIZCTEOSA-N |