1-{2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
1-{2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
1-{2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | SA52-0584 |
| Compound Name: | 1-{2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C17 H25 N5 O2 |
| Smiles: | CCC(N1CCCN(CC1c1nc(C)no1)Cc1cccn1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4815 |
| logD: | 1.368 |
| logSw: | -1.8324 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.318 |
| InChI Key: | IBRSORYEXWDARZ-HNNXBMFYSA-N |