3-[({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-[({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
3-[({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde
Compound characteristics
Compound ID: | E960-1193 |
Compound Name: | 3-[({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde |
Molecular Weight: | 466.53 |
Molecular Formula: | C24 H23 F N4 O3 S |
Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(=Nc2c(C)n1)SCc1cc(C=O)ccc1OC)=O |
Stereo: | ACHIRAL |
logP: | 3.4924 |
logD: | 3.4924 |
logSw: | -3.7266 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 59.228 |
InChI Key: | IEVYKZSVMJUABR-UHFFFAOYSA-N |