6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C099-0329 |
| Compound Name: | 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C19 H20 F N5 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8976 |
| logD: | 2.8346 |
| logSw: | -3.4759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.175 |
| InChI Key: | IKRZUHAGIVWGDY-UHFFFAOYSA-N |