3,3-dimethyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}butan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}butan-1-one--hydrogen chloride (1/1)
3,3-dimethyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}butan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | J075-3491 |
| Compound Name: | 3,3-dimethyl-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}butan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 392.93 |
| Molecular Formula: | C20 H28 N4 O2 |
| Salt: | HCl |
| Smiles: | CC(C)(C)CC(N1CCCN(CC1)Cc1nc(c2ccccc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1306 |
| logD: | 3.1305 |
| logSw: | -2.9872 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.17 |
| InChI Key: | MLEZBWLZFFBSLS-UHFFFAOYSA-N |