N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E017-0099 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Smiles: | COc1ccc(CCNC(C2CCN(CC2)c2nnc(N3CCCC3=O)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7215 |
| logD: | 1.7215 |
| logSw: | -2.3932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.157 |
| InChI Key: | XKYGCVVNJVOPSH-UHFFFAOYSA-N |