N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E958-0314 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | C1CC(CN(C1)c1nnc(n2cccc2)s1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0395 |
| logD: | 3.0393 |
| logSw: | -3.3313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.951 |
| InChI Key: | NGJFTVJWCYOKLM-ZDUSSCGKSA-N |