1-[4-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
1-[4-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA52-1328 |
| Compound Name: | 1-[4-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C19 H26 N4 O6 S |
| Smiles: | CCC(N1CCCN(CC1c1nc(C)no1)S(c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3354 |
| logD: | 1.3354 |
| logSw: | -2.3845 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.659 |
| InChI Key: | BNPQVRDNYBMYRR-HNNXBMFYSA-N |