N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1603 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 579.81 |
| Molecular Formula: | C31 H45 N7 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCCCN2CC(C)CC(C)C2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0994 |
| logD: | 2.4945 |
| logSw: | -4.5655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.817 |
| InChI Key: | RVQRYHKCQGCGKZ-UHFFFAOYSA-N |