ethyl {[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetate
ethyl {[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | 8640-0633 |
Compound Name: | ethyl {[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetate |
Molecular Weight: | 445.6 |
Molecular Formula: | C22 H27 N3 O3 S2 |
Smiles: | CCOC(CSc1c2c(c3c4C[C@](C)(C)OCc4c(CC(C)C)nc3s2)ncn1)=O |
Stereo: | ACHIRAL |
logP: | 5.6421 |
logD: | 5.6421 |
logSw: | -5.5105 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 59.428 |
InChI Key: | POQLJNPBYXGKAM-UHFFFAOYSA-N |