N-{4-[5-(furan-2-yl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
Chemical Structure Depiction of
N-{4-[5-(furan-2-yl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
N-{4-[5-(furan-2-yl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
Compound characteristics
| Compound ID: | C327-0036 |
| Compound Name: | N-{4-[5-(furan-2-yl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C21 H18 N4 O6 S |
| Smiles: | CS(Nc1ccc(cc1)C1CC(c2ccco2)N(C(c2cccc(c2)[N+]([O-])=O)=O)N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0969 |
| logD: | 3.0515 |
| logSw: | -3.5514 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.942 |
| InChI Key: | WERHGBZXZBHHEC-LJQANCHMSA-N |