2-cyclopentyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-cyclopentyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-cyclopentyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | J075-3771 |
| Compound Name: | 2-cyclopentyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 404.94 |
| Molecular Formula: | C21 H28 N4 O2 |
| Salt: | HCl |
| Smiles: | C1CCC(C1)CC(N1CCCN(CC1)Cc1nc(c2ccccc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0014 |
| logD: | 3.0013 |
| logSw: | -3.1267 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.457 |
| InChI Key: | OHCWXOKURHROFE-UHFFFAOYSA-N |