5-{[(3-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
5-{[(3-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(3-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1065 |
| Compound Name: | 5-{[(3-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccccc3OC)C(=Nc2c(C)n1)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4633 |
| logD: | 4.4633 |
| logSw: | -4.5477 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.068 |
| InChI Key: | DXJROYLAAYSWBK-UHFFFAOYSA-N |