2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | G873-0157 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 375.83 |
| Molecular Formula: | C16 H14 Cl N5 O2 S |
| Smiles: | C=CCNC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1204 |
| logD: | 2.0574 |
| logSw: | -3.2501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.036 |
| InChI Key: | FBFCNVDRFVWTHV-UHFFFAOYSA-N |