3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
Chemical Structure Depiction of
3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
Compound characteristics
| Compound ID: | E958-0792 |
| Compound Name: | 3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | COc1ccc(cc1OC)NCc1cccn1c1nnc(N2CCN(CC2)c2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3867 |
| logD: | 4.3866 |
| logSw: | -4.26 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.11 |
| InChI Key: | UMJWJGGVPGCLGJ-UHFFFAOYSA-N |