1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1614 |
| Compound Name: | 1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 590.75 |
| Molecular Formula: | C31 H38 N6 O4 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCc2ccc(c(c2)OC)OCC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6778 |
| logD: | 4.6778 |
| logSw: | -4.3262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.966 |
| InChI Key: | XBGUZDJYIIZASP-UHFFFAOYSA-N |