N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V003-2155 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C31 H31 N5 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N(CC(N1CCN(CC1)c1ccc(c2ccccc2)nn1)=O)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6326 |
| logD: | 4.6289 |
| logSw: | -4.4214 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.046 |
| InChI Key: | ZQXIJGQCPVNQFB-UHFFFAOYSA-N |