5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-0562 |
| Compound Name: | 5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 511 |
| Molecular Formula: | C24 H23 Cl N6 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2024 |
| logD: | 3.1959 |
| logSw: | -3.6457 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.623 |
| InChI Key: | NDDYJPMXXHESHP-UHFFFAOYSA-N |