4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide
4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4742-2736 |
| Compound Name: | 4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | CC1/C(=C\c2cc(C)n(c3ccc(cc3)S(N)(=O)=O)c2C)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5696 |
| logD: | 2.5688 |
| logSw: | -3.0202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.855 |
| InChI Key: | ACOIKUCXCHPSNU-UHFFFAOYSA-N |