1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1013 |
| Compound Name: | 1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine |
| Molecular Weight: | 480.68 |
| Molecular Formula: | C26 H36 N6 O S |
| Smiles: | CCOc1ccccc1CNCc1cccn1c1nnc(N2CCN(CC2)C2CCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0078 |
| logD: | 4.1874 |
| logSw: | -4.4688 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.424 |
| InChI Key: | MSZRMHBITGVYAT-UHFFFAOYSA-N |