1-[4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S990-0532 |
| Compound Name: | 1-[4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C16 H20 N4 O3 S |
| Smiles: | CC(N1CCN(CCC1c1nc(C)no1)C(Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8508 |
| logD: | 0.8508 |
| logSw: | -1.8256 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.888 |
| InChI Key: | DXPXYCYWQGQNMP-CQSZACIVSA-N |