ethyl 4-(3-methyl-5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-methyl-5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoate
ethyl 4-(3-methyl-5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3977-1342 |
| Compound Name: | ethyl 4-(3-methyl-5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2cccn2c2ccc(cc2)S(N)(=O)=O)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3583 |
| logD: | 3.3575 |
| logSw: | -3.6268 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.473 |
| InChI Key: | SHGKVQFZXXJJKW-UHFFFAOYSA-N |