3-cyclopentyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
Chemical Structure Depiction of
3-cyclopentyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
3-cyclopentyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | E683-0431 |
| Compound Name: | 3-cyclopentyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | C1CCc2nnc(c3ccc(cc3)NC(CCC3CCCC3)=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8428 |
| logD: | 3.8424 |
| logSw: | -4.0788 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.699 |
| InChI Key: | QHRYIMXRILYFAH-UHFFFAOYSA-N |