1-(3,4-dihydroxyphenyl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroxyphenyl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6220-1323 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 262.28 |
| Molecular Formula: | C12 H10 N2 O3 S |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)Sc1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.2965 |
| logD: | 1.1142 |
| logSw: | -1.9671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.467 |
| InChI Key: | RDCTUZFAHOHAHR-UHFFFAOYSA-N |