2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide
2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | S911-0439 |
| Compound Name: | 2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C18 H26 N4 O3 S |
| Smiles: | COCCN1C(N2CCC(CCC2=N1)CC(NCCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5043 |
| logD: | 1.5043 |
| logSw: | -2.2579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.168 |
| InChI Key: | CXDRASQOTYLJDG-AWEZNQCLSA-N |