N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E958-0417 |
| Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-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: | CCOc1ccc(CNC(C2CCCN(C2)c2nnc(n3cccc3)s2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8558 |
| logD: | 2.8558 |
| logSw: | -3.218 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.998 |
| InChI Key: | LHIGFKRHIPWEEK-KRWDZBQOSA-N |