1-{3-[({4,6-dihydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]pyrimidin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
Chemical Structure Depiction of
1-{3-[({4,6-dihydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]pyrimidin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
1-{3-[({4,6-dihydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]pyrimidin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
Compound characteristics
| Compound ID: | 3379-2492 |
| Compound Name: | 1-{3-[({4,6-dihydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]pyrimidin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C25 H28 N2 O5 S |
| Smiles: | CCCOc1ccc(Cc2c(nc(nc2O)SCc2cc(ccc2OC)C(C)=O)O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 4.9591 |
| logD: | 4.904 |
| logSw: | -4.6747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.871 |
| InChI Key: | PEWOWNUZNVNBNP-UHFFFAOYSA-N |