2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine
2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-0798 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)ethan-1-amine |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C27 H32 N6 O2 S |
| Smiles: | COc1ccc(CCNCc2cccn2c2nnc(N3CCN(CC3)c3ccccc3)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7563 |
| logD: | 3.6533 |
| logSw: | -3.9591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.483 |
| InChI Key: | GJJGZCHMSJOUQB-UHFFFAOYSA-N |