N-(2,2-diethoxyethyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2,2-diethoxyethyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-(2,2-diethoxyethyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1597 |
| Compound Name: | N-(2,2-diethoxyethyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C27 H38 N6 O4 S |
| Smiles: | CCOC(CNC(C1CCN(CC1)c1nnc(n2cccc2CNc2ccc(cc2)OCC)s1)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.91 |
| logD: | 3.91 |
| logSw: | -3.7183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.051 |
| InChI Key: | FLLPUVDDQOITSM-UHFFFAOYSA-N |