ethyl {[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
ethyl {[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | 8640-0448 |
Compound Name: | ethyl {[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate |
Molecular Weight: | 438.59 |
Molecular Formula: | C18 H22 N4 O3 S3 |
Smiles: | CCOC(CSc1nnc2c3c4CC(C(C)C)OCc4sc3N=C(n12)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8303 |
logD: | 3.8302 |
logSw: | -4.1228 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 63.806 |
InChI Key: | IZYCRXXURZCZHP-LLVKDONJSA-N |