1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-ethoxy-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-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1019 |
| Compound Name: | 1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C27 H38 N6 O2 S |
| Smiles: | CCOc1ccc(CNCc2cccn2c2nnc(N3CCN(CC3)C3CCCCC3)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3936 |
| logD: | 3.5732 |
| logSw: | -4.1721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.054 |
| InChI Key: | GBRTUSDAHKGVCK-UHFFFAOYSA-N |