1-{4-[(5-methylfuran-2-yl)methyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(5-methylfuran-2-yl)methyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one
1-{4-[(5-methylfuran-2-yl)methyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S990-0510 |
| Compound Name: | 1-{4-[(5-methylfuran-2-yl)methyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CC(N1CCN(CCC1c1nc(C)no1)Cc1ccc(C)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3403 |
| logD: | 0.8605 |
| logSw: | -1.8708 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.745 |
| InChI Key: | YKJWOWAVRADWEI-HNNXBMFYSA-N |