N-benzyl-N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Chemical Structure Depiction of
N-benzyl-N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-benzyl-N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0271 |
| Compound Name: | N-benzyl-N-ethyl-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1641 |
| logD: | 2.1641 |
| logSw: | -2.2675 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.196 |
| InChI Key: | KIUBOMIEHGFQAI-UHFFFAOYSA-N |