N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E017-0543 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 445.6 |
| Molecular Formula: | C21 H27 N5 O2 S2 |
| Smiles: | CSc1ccc(CCNC(C2CCCN(C2)c2nnc(N3CCCC3=O)s2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9063 |
| logD: | 2.9063 |
| logSw: | -3.3225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.829 |
| InChI Key: | ZMRXYPZKSSJJSC-INIZCTEOSA-N |