2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine
2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-0716 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C23 H31 N5 O2 S |
| Smiles: | CC1CCN(CC1)c1nnc(n2cccc2CNCCc2ccc(c(c2)OC)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4514 |
| logD: | 3.3484 |
| logSw: | -3.7805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.222 |
| InChI Key: | WRIFCYWGMSWEQI-UHFFFAOYSA-N |