N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine
Chemical Structure Depiction of
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-0688 |
| Compound Name: | N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine |
| Molecular Weight: | 480.68 |
| Molecular Formula: | C25 H36 N8 S |
| Smiles: | CN1CCN(CCNCc2cccn2c2nnc(N3CCN(CC3)Cc3ccccc3)s2)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.2072 |
| logD: | 1.5397 |
| logSw: | -2.1935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.961 |
| InChI Key: | HEIUHGQCSPFZCU-UHFFFAOYSA-N |