4-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane
Chemical Structure Depiction of
4-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane
4-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane
Compound characteristics
| Compound ID: | SA52-0146 |
| Compound Name: | 4-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane |
| Molecular Weight: | 438.54 |
| Molecular Formula: | C20 H30 N4 O5 S |
| Smiles: | CC(C)CN1CCCN(CC1c1nc(C)no1)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6652 |
| logD: | 2.6647 |
| logSw: | -3.0671 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.35 |
| InChI Key: | ZPNYEZVUOFWNLG-KRWDZBQOSA-N |