1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,5-dimethoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,5-dimethoxyphenyl)methyl]methanamine
1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,5-dimethoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-0694 |
| Compound Name: | 1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,5-dimethoxyphenyl)methyl]methanamine |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C27 H32 N6 O2 S |
| Smiles: | COc1ccc(c(CNCc2cccn2c2nnc(N3CCN(CC3)Cc3ccccc3)s2)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2577 |
| logD: | 3.3415 |
| logSw: | -4.2391 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.835 |
| InChI Key: | GLXYDAUDOULDLV-UHFFFAOYSA-N |