1-(4-ethoxy-3-methoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Chemical Structure Depiction of
1-(4-ethoxy-3-methoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
1-(4-ethoxy-3-methoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Compound characteristics
| Compound ID: | E958-0773 |
| Compound Name: | 1-(4-ethoxy-3-methoxyphenyl)-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C23 H31 N5 O2 S |
| Smiles: | CCOc1ccc(CNCc2cccn2c2nnc(N3CCC(C)CC3)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0669 |
| logD: | 3.3899 |
| logSw: | -4.0464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.961 |
| InChI Key: | HAUIDCSKMZEFTJ-UHFFFAOYSA-N |