4-[6-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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: | C099-0757 |
| Compound Name: | 4-[6-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-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: | 724.61 |
| Molecular Formula: | C30 H26 Br N7 O6 S2 |
| Smiles: | COc1cccc(C2CC(c3ccc(cc3)[Br])=NN2C(CSC2NC(c3cnn(c4ccc(cc4)S(N)(=O)=O)c3N=2)=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2467 |
| logD: | 4.1838 |
| logSw: | -4.4186 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 141.023 |
| InChI Key: | CFKQAWPMLNQDAC-XMMPIXPASA-N |