4-[6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide
4-[6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C099-0750 |
| Compound Name: | 4-[6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide |
| Molecular Weight: | 633.68 |
| Molecular Formula: | C29 H24 F N7 O5 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)F)N(C(CSC2NC(c3cnn(c4ccc(cc4)S(N)(=O)=O)c3N=2)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5406 |
| logD: | 3.4776 |
| logSw: | -3.9071 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 133.219 |
| InChI Key: | LRDQZZIJYPBROW-VWLOTQADSA-N |