1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1609 |
| Compound Name: | 1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide |
| Molecular Weight: | 542.77 |
| Molecular Formula: | C27 H38 N6 O2 S2 |
| Smiles: | CCCSCCCNC(C1CCN(CC1)c1nnc(n2cccc2CNc2ccc(cc2)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8655 |
| logD: | 4.8655 |
| logSw: | -4.3052 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.239 |
| InChI Key: | DVCCNDYEYLUQDV-UHFFFAOYSA-N |