1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(3-methoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(3-methoxyphenyl)methyl]methanamine
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(3-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-0984 |
| Compound Name: | 1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(3-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C25 H34 N6 O S |
| Smiles: | COc1cccc(CNCc2cccn2c2nnc(N3CCN(CC3)C3CCCCC3)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5304 |
| logD: | 3.6357 |
| logSw: | -4.2824 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.757 |
| InChI Key: | FMCPLWFLLBTCBO-UHFFFAOYSA-N |