2-{[5-(2-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
2-{[5-(2-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K781-0708 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 500.37 |
| Molecular Formula: | C21 H18 Br N5 O3 S |
| Smiles: | COc1ccc(CNC(CSC2=Nc3c(cn[nH]3)C(N2c2ccccc2[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8522 |
| logD: | 2.8504 |
| logSw: | -3.4736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.141 |
| InChI Key: | VCMDFBZQQFGJDB-UHFFFAOYSA-N |