2-cyclohexyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Chemical Structure Depiction of
2-cyclohexyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
2-cyclohexyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E683-0430 |
| Compound Name: | 2-cyclohexyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | C1CCC(CC1)CC(Nc1ccc(cc1)c1nnc2CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2184 |
| logD: | 4.218 |
| logSw: | -4.2218 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.333 |
| InChI Key: | VTCBFFBEBKTHKQ-UHFFFAOYSA-N |