N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-5-bromofuran-2-carboxamide
Chemical Structure Depiction of
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-5-bromofuran-2-carboxamide
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-5-bromofuran-2-carboxamide
Compound characteristics
| Compound ID: | L398-0228 |
| Compound Name: | N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-5-bromofuran-2-carboxamide |
| Molecular Weight: | 500.33 |
| Molecular Formula: | C21 H14 Br N3 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(CSc2ccc(cc2)NC(c2ccc(o2)[Br])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6117 |
| logD: | 4.6081 |
| logSw: | -4.5708 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.281 |
| InChI Key: | DBLZSTIMGQLLJE-UHFFFAOYSA-N |