7-(ethoxyacetyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(ethoxyacetyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(ethoxyacetyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0088 |
| Compound Name: | 7-(ethoxyacetyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 240.26 |
| Molecular Formula: | C10 H16 N4 O3 |
| Smiles: | CCOCC(N1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.619 |
| logD: | -0.6254 |
| logSw: | -0.3023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.376 |
| InChI Key: | KEOKFAFWLUCEOG-UHFFFAOYSA-N |