2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-butylphenyl)acetamide
Chemical Structure Depiction of
2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-butylphenyl)acetamide
2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-butylphenyl)acetamide
Compound characteristics
| Compound ID: | IB02-8003 |
| Compound Name: | 2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-butylphenyl)acetamide |
| Molecular Weight: | 496.43 |
| Molecular Formula: | C23 H22 Br N5 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1c2cnn(c3ccc(cc3)[Br])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.63 |
| logD: | 6.63 |
| logSw: | -7.08 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.75 |
| InChI Key: | NHTIVMAADASMKD-UHFFFAOYSA-N |