3-phenyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-phenyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one--hydrogen chloride (1/1)
3-phenyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | J075-3731 |
| Compound Name: | 3-phenyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 426.95 |
| Molecular Formula: | C23 H26 N4 O2 |
| Salt: | HCl |
| Smiles: | C1CN(CCN(C1)C(CCc1ccccc1)=O)Cc1nc(c2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.2419 |
| logD: | 3.2418 |
| logSw: | -3.2799 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.899 |
| InChI Key: | PJPPNKKNDABKKU-UHFFFAOYSA-N |