2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K781-5004 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 544.43 |
| Molecular Formula: | C23 H22 Br N5 O4 S |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3c(cn[nH]3)C(N2c2ccc(cc2)[Br])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4126 |
| logD: | 2.4103 |
| logSw: | -2.8361 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89 |
| InChI Key: | APLPSKZQNKTRFT-UHFFFAOYSA-N |