4-hydroxy-5-methyl-2-sulfanyl-7H-pyrano[2,3-d]pyrimidin-7-one
Chemical Structure Depiction of
4-hydroxy-5-methyl-2-sulfanyl-7H-pyrano[2,3-d]pyrimidin-7-one
4-hydroxy-5-methyl-2-sulfanyl-7H-pyrano[2,3-d]pyrimidin-7-one
Compound characteristics
Compound ID: | 0S66-0039 |
Compound Name: | 4-hydroxy-5-methyl-2-sulfanyl-7H-pyrano[2,3-d]pyrimidin-7-one |
Molecular Weight: | 210.21 |
Molecular Formula: | C8 H6 N2 O3 S |
Smiles: | CC1=CC(=O)Oc2c1c(nc(n2)S)O |
Stereo: | ACHIRAL |
logP: | 0.7994 |
logD: | -2.8077 |
logSw: | -0.9414 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.695 |
InChI Key: | KSKVORJZAARSNB-UHFFFAOYSA-N |