3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C724-0362 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | COc1ccc(CCN2C(=Nc3c(cccn3)C2=O)SCc2cccc(c2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8638 |
| logD: | 3.8638 |
| logSw: | -3.9432 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.015 |
| InChI Key: | ORPQLMCKENPVPP-UHFFFAOYSA-N |