2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 8019-3352 |
Compound Name: | 2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carbonitrile |
Molecular Weight: | 400.43 |
Molecular Formula: | C18 H12 N2 O5 S2 |
Smiles: | C1COc2cc(ccc2O1)C(CSc1c(C#N)c2c(C(=CC(N2)=O)O)s1)=O |
Stereo: | ACHIRAL |
logP: | 1.5148 |
logD: | -4.4585 |
logSw: | -2.3366 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.525 |
InChI Key: | HQDCBDVAKIHKEQ-UHFFFAOYSA-N |