methyl 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
methyl 4-(3-methyl-5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoate
methyl 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: | 3977-1340 |
| Compound Name: | methyl 4-(3-methyl-5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | CC1/C(=C/c2cccn2c2ccc(cc2)S(N)(=O)=O)C(N(c2ccc(cc2)C(=O)OC)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8476 |
| logD: | 2.8468 |
| logSw: | -3.5051 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.893 |
| InChI Key: | YYJDLTYMXPZLEI-UHFFFAOYSA-N |