4-[6-({2-[5-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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: | C099-0756 |
Compound Name: | 4-[6-({2-[5-(2,3-dimethoxyphenyl)-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: | 675.74 |
Molecular Formula: | C31 H29 N7 O7 S2 |
Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2OC)OC)N(C(CSC2NC(c3cnn(c4ccc(cc4)S(N)(=O)=O)c3N=2)=O)=O)N=1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3952 |
logD: | 3.3322 |
logSw: | -3.9126 |
Hydrogen bond acceptors count: | 16 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 148.566 |
InChI Key: | VVEHFIDGVUCNGA-VWLOTQADSA-N |