1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-methoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-methoxyphenyl)methyl]methanamine
1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-0637 |
| Compound Name: | 1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 474.63 |
| Molecular Formula: | C26 H30 N6 O S |
| Smiles: | COc1ccc(CNCc2cccn2c2nnc(N3CCN(CC3)Cc3ccccc3)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0747 |
| logD: | 3.9141 |
| logSw: | -4.0975 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.204 |
| InChI Key: | ZFYLJJSEEKDUKX-UHFFFAOYSA-N |