N-(2H-1,3-benzodioxol-5-yl)-5-(pentanamidomethyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(pentanamidomethyl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(pentanamidomethyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0698 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(pentanamidomethyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C16 H18 N4 O4 S |
| Smiles: | CCCCC(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.211 |
| logD: | 2.2101 |
| logSw: | -3.0381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.916 |
| InChI Key: | JCONZGORUXJTTR-UHFFFAOYSA-N |