6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-chlorophenyl)-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-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0127 |
| Compound Name: | 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 417.92 |
| Molecular Formula: | C19 H20 Cl N5 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4633 |
| logD: | 3.4003 |
| logSw: | -3.9865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.175 |
| InChI Key: | XBEHCGAQSXTUJB-UHFFFAOYSA-N |