1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one
1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S990-0558 |
| Compound Name: | 1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C16 H23 N5 O2 |
| Smiles: | CC(N1CCN(CCC1c1nc(C)no1)Cc1cccn1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9774 |
| logD: | 0.9152 |
| logSw: | -1.7291 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.38 |
| InChI Key: | NTUGPAYPECZWKT-HNNXBMFYSA-N |