2-(3,4-diethoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
Chemical Structure Depiction of
2-(3,4-diethoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
2-(3,4-diethoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
Compound characteristics
| Compound ID: | S638-0177 |
| Compound Name: | 2-(3,4-diethoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C19 H26 N4 O4 |
| Smiles: | CCOc1ccc(CC(NC2CCC3=NNC(N3CC2)=O)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3656 |
| logD: | 1.3591 |
| logSw: | -2.1713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.271 |
| InChI Key: | DOPOGWHSHASMIW-CQSZACIVSA-N |