1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[(pyridin-2-yl)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-[(pyridin-2-yl)methyl]piperidine-4-carboxamide
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1608 |
| Compound Name: | 1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C27 H31 N7 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCc2ccccn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8075 |
| logD: | 3.8074 |
| logSw: | -3.6893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.669 |
| InChI Key: | AGZBCHOUFAMVBL-UHFFFAOYSA-N |