N-(2,4-dimethoxyphenyl)-2-methyl-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-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0380 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C17 H22 N4 O4 |
| Smiles: | CN1C(N2C(CCCCC2=N1)C(Nc1ccc(cc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8576 |
| logD: | 1.8572 |
| logSw: | -2.2907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.738 |
| InChI Key: | CSWNJJRYIQJUAQ-ZDUSSCGKSA-N |