N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | L790-0232 |
| Compound Name: | N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C17 H17 N5 O4 S2 |
| Smiles: | CC(C)CC(Nc1nnc(SCc2nnc(c3ccc4c(c3)OCO4)o2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7223 |
| logD: | 3.7187 |
| logSw: | -4.0513 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.319 |
| InChI Key: | ZALPHHKSDYJTQU-UHFFFAOYSA-N |