N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methylaniline
Chemical Structure Depiction of
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methylaniline
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methylaniline
Compound characteristics
| Compound ID: | E958-0671 |
| Compound Name: | N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methylaniline |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C25 H28 N6 S |
| Smiles: | Cc1ccc(cc1)NCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0838 |
| logD: | 4.9231 |
| logSw: | -4.8258 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.129 |
| InChI Key: | LQUJKYBPMGKSRA-UHFFFAOYSA-N |