N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C857-0335 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | COc1ccc(CCNC(C2CCCN(C2)c2nnc(n3cccc3)s2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5859 |
| logD: | 2.5859 |
| logSw: | -3.0267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.26 |
| InChI Key: | NIVIOEBSLHEOFK-KRWDZBQOSA-N |