2-(3-chlorophenoxy)-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
2-(3-chlorophenoxy)-1-{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one--hydrogen chloride (1/1)
2-(3-chlorophenoxy)-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: | J075-4078 |
| Compound Name: | 2-(3-chlorophenoxy)-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: | 477.39 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Salt: | HCl |
| Smiles: | CC(C(N1CCCN(CC1)Cc1nc(c2ccccc2)on1)=O)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8243 |
| logD: | 3.8241 |
| logSw: | -4.1405 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.215 |
| InChI Key: | PJGYJAQVDXQHPY-KRWDZBQOSA-N |