N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide
Chemical Structure Depiction of
N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide
N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide
Compound characteristics
| Compound ID: | S336-0253 |
| Compound Name: | N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide |
| Molecular Weight: | 314.39 |
| Molecular Formula: | C17 H22 N4 O2 |
| Smiles: | CCN(C(CN1C(N2CCCCCC2=N1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2175 |
| logD: | 2.2175 |
| logSw: | -2.311 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.607 |
| InChI Key: | LMCDNDYJQQSNTB-UHFFFAOYSA-N |