N-benzyl-1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine
Chemical Structure Depiction of
N-benzyl-1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine
N-benzyl-1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine
Compound characteristics
| Compound ID: | E958-0672 |
| Compound Name: | N-benzyl-1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C25 H28 N6 S |
| Smiles: | C(c1ccccc1)NCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0923 |
| logD: | 3.9317 |
| logSw: | -4.149 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.66 |
| InChI Key: | JJHMQLFEDGBGBI-UHFFFAOYSA-N |