2-(2-methylphenyl)-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-(2-methylphenyl)-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-(2-methylphenyl)-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: | J075-4288 |
| Compound Name: | 2-(2-methylphenyl)-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: | 426.95 |
| Molecular Formula: | C23 H26 N4 O2 |
| Salt: | HCl |
| Smiles: | Cc1ccccc1CC(N1CCCN(CC1)Cc1nc(c2ccccc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.69 |
| logD: | 3.6899 |
| logSw: | -3.706 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.899 |
| InChI Key: | YKGIGTSZIUQXDY-UHFFFAOYSA-N |