4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3172-0348 |
| Compound Name: | 4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 482.47 |
| Molecular Formula: | C22 H18 N4 O7 S |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0515 |
| logD: | 3.0505 |
| logSw: | -3.7245 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.384 |
| InChI Key: | JHONHRZCUKNGDY-UHFFFAOYSA-N |