N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-4-methyl-3-nitrobenzamide
N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | F133-0101 |
| Compound Name: | N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | CCS(c1ccc(c2ccc(cc2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)nn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1344 |
| logD: | 3.1337 |
| logSw: | -3.5186 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.693 |
| InChI Key: | BYPDMIIRCRZWJE-UHFFFAOYSA-N |