N-(2,3-dimethylcyclohexyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-(2,3-dimethylcyclohexyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1431 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 536.74 |
| Molecular Formula: | C29 H40 N6 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NC2CCCC(C)C2C)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1605 |
| logD: | 5.1605 |
| logSw: | -4.7962 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.241 |
| InChI Key: | GONXRZMIUUIERU-UHFFFAOYSA-N |