4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]-N-(9-oxo-9H-thioxanthen-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]-N-(9-oxo-9H-thioxanthen-2-yl)benzene-1-sulfonamide
4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]-N-(9-oxo-9H-thioxanthen-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8017-6256 |
| Compound Name: | 4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]-N-(9-oxo-9H-thioxanthen-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C27 H25 N3 O4 S2 |
| Smiles: | CC(C)C1=C(C)N(C)N(C1=O)c1ccc(cc1)S(Nc1ccc2c(c1)C(c1ccccc1S2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8349 |
| logD: | 4.8192 |
| logSw: | -4.5147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.866 |
| InChI Key: | POMYGXPHRZNMND-UHFFFAOYSA-N |