methyl {[5-(benzylsulfanyl)-10,10-dimethyl-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
methyl {[5-(benzylsulfanyl)-10,10-dimethyl-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
methyl {[5-(benzylsulfanyl)-10,10-dimethyl-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: | 8640-0018 |
| Compound Name: | methyl {[5-(benzylsulfanyl)-10,10-dimethyl-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: | 486.63 |
| Molecular Formula: | C22 H22 N4 O3 S3 |
| Smiles: | CC1(C)Cc2c3c4nnc(n4C(=Nc3sc2CO1)SCc1ccccc1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0154 |
| logD: | 4.0154 |
| logSw: | -4.4862 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.3 |
| InChI Key: | NFXRTYBLQKNSPM-UHFFFAOYSA-N |