N-(1-benzylpiperidin-4-yl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-(1-benzylpiperidin-4-yl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1617 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 599.8 |
| Molecular Formula: | C33 H41 N7 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NC2CCN(CC2)Cc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.072 |
| logD: | 3.5143 |
| logSw: | -4.4622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.392 |
| InChI Key: | BXRCEJWSZZPSEZ-UHFFFAOYSA-N |