5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1374 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-6-[(thiophen-2-yl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C20 H18 Cl F N4 O S2 |
| Smiles: | CCn1c2C(N(Cc3cccs3)C(=Nc2c(C)n1)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2613 |
| logD: | 4.2613 |
| logSw: | -4.3945 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.456 |
| InChI Key: | ICNLWMASIZAKLY-UHFFFAOYSA-N |