{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1)
{4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | J075-4423 |
| Compound Name: | {4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C24 H28 N4 O5 |
| Salt: | HCl |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCCN(CC1)Cc1nc(c2ccccc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3689 |
| logD: | 2.3689 |
| logSw: | -2.9429 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.404 |
| InChI Key: | FREBJESOBMTBSI-UHFFFAOYSA-N |