5-{[(2-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
5-{[(2-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1019 |
| Compound Name: | 5-{[(2-chlorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-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(Cc3ccc(cc3)OC)C(=Nc2c(C)n1)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4969 |
| logD: | 4.4969 |
| logSw: | -4.5402 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.982 |
| InChI Key: | MRYFMAVHSFDXKX-UHFFFAOYSA-N |