1-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3-methylphenoxy)ethan-1-one
1-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S990-0681 |
| Compound Name: | 1-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC(c2nc(C)no2)N(CC1)C(C1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.899 |
| logD: | 2.899 |
| logSw: | -2.8942 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.188 |
| InChI Key: | KQDLKPNEQHZKGF-FQEVSTJZSA-N |