methyl {[10,10-dimethyl-5-(propylsulfanyl)-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 {[10,10-dimethyl-5-(propylsulfanyl)-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 {[10,10-dimethyl-5-(propylsulfanyl)-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: | 8640-0027 |
| Compound Name: | methyl {[10,10-dimethyl-5-(propylsulfanyl)-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: | CCCSC1=Nc2c(c3CC(C)(C)OCc3s2)c2nnc(n12)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6494 |
| logD: | 3.6494 |
| logSw: | -4.0609 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.572 |
| InChI Key: | WNANHUOIKZNVHM-UHFFFAOYSA-N |