1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]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-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1464 |
| Compound Name: | 1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide |
| Molecular Weight: | 601.82 |
| Molecular Formula: | C33 H43 N7 O2 S |
| Smiles: | CCN(CCCNC(C1CCN(CC1)c1nnc(n2cccc2CNc2ccc(cc2)OCC)s1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1061 |
| logD: | 6.0738 |
| logSw: | -5.3339 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.957 |
| InChI Key: | MHDHNXVZMPETNI-UHFFFAOYSA-N |