4-{[4-(4-benzylpiperazine-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
Chemical Structure Depiction of
4-{[4-(4-benzylpiperazine-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
4-{[4-(4-benzylpiperazine-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | D534-0960 |
| Compound Name: | 4-{[4-(4-benzylpiperazine-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CC1C=C(Cc2ccc(cc2)S(N2CCN(CC2)Cc2ccccc2)(=O)=O)C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6805 |
| logD: | 2.6736 |
| logSw: | -3.0569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.857 |
| InChI Key: | GJFHDEAQFDYIKB-UHFFFAOYSA-N |