4-{4-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-{4-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide
4-{4-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4476-1451 |
| Compound Name: | 4-{4-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 526.7 |
| Molecular Formula: | C25 H26 N4 O3 S3 |
| Smiles: | CCCCN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(cc2)S(N(C)C)(=O)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0045 |
| logD: | 5.0045 |
| logSw: | -4.4527 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 64.989 |
| InChI Key: | MBBJAYTXPWNKEY-UHFFFAOYSA-N |