N-(2-ethoxyphenyl)-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)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(2-ethoxyphenyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0033 |
| Compound Name: | N-(2-ethoxyphenyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | CCOc1ccccc1NC(C1CCCCC2=NNC(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.261 |
| logD: | 2.2598 |
| logSw: | -2.7185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.425 |
| InChI Key: | PHXMUUDCKJJCLC-LBPRGKRZSA-N |