4-[6-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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: | C099-0747 |
| Compound Name: | 4-[6-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-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: | 682.55 |
| Molecular Formula: | C28 H21 Br F N7 O4 S2 |
| Smiles: | C1C(c2ccc(cc2)F)N(C(CSC2NC(c3cnn(c4ccc(cc4)S(N)(=O)=O)c3N=2)=O)=O)N=C1c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3921 |
| logD: | 4.3291 |
| logSw: | -4.4508 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.675 |
| InChI Key: | XKJVQWVAVYTNBZ-XMMPIXPASA-N |