4-[6-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-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-[3-(4-bromophenyl)-5-(4-methylphenyl)-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-[3-(4-bromophenyl)-5-(4-methylphenyl)-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: | C099-0748 |
| Compound Name: | 4-[6-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-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: | 678.59 |
| Molecular Formula: | C29 H24 Br N7 O4 S2 |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)[Br])=NN1C(CSC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7864 |
| logD: | 4.7234 |
| logSw: | -4.5547 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.675 |
| InChI Key: | IRZMVAUGIIHVFJ-RUZDIDTESA-N |