ethyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate
ethyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C365-0129 |
| Compound Name: | ethyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate |
| Molecular Weight: | 476.94 |
| Molecular Formula: | C20 H21 Cl N6 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5051 |
| logD: | 2.4421 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.624 |
| InChI Key: | RMWHYSKNRURCFY-UHFFFAOYSA-N |