3,4-diethoxy-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Chemical Structure Depiction of
3,4-diethoxy-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
3,4-diethoxy-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Compound characteristics
| Compound ID: | S638-0030 |
| Compound Name: | 3,4-diethoxy-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C18 H24 N4 O4 |
| Smiles: | CCOc1ccc(cc1OCC)C(NC1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5271 |
| logD: | 1.5206 |
| logSw: | -2.1958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.484 |
| InChI Key: | MGHZRRFUJQLDDC-CYBMUJFWSA-N |