2-(3,5-dimethoxyphenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]ethan-1-one
2-(3,5-dimethoxyphenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA52-0181 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C22 H32 N4 O4 |
| Smiles: | CC(C)CN1CCCN(CC1c1nc(C)no1)C(Cc1cc(cc(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0787 |
| logD: | 3.0421 |
| logSw: | -3.1646 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.673 |
| InChI Key: | DGTHMCJZAOFQIH-FQEVSTJZSA-N |