4-[6-({2-[3,5-bis(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-[3,5-bis(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-[3,5-bis(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: | C099-0754 |
| Compound Name: | 4-[6-({2-[3,5-bis(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: | 645.72 |
| Molecular Formula: | C30 H27 N7 O6 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)OC)=NN1C(CSC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4939 |
| logD: | 3.4309 |
| logSw: | -3.8952 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 140.763 |
| InChI Key: | HPWZZAFUKOJQNC-SANMLTNESA-N |