N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine
Chemical Structure Depiction of
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine
Compound characteristics
| Compound ID: | E958-0647 |
| Compound Name: | N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine |
| Molecular Weight: | 424.61 |
| Molecular Formula: | C23 H32 N6 S |
| Smiles: | CC(C)CCNCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8939 |
| logD: | 3.3089 |
| logSw: | -3.8477 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.774 |
| InChI Key: | VPIQICAORNIRNP-UHFFFAOYSA-N |