2-{[9-ethyl-9-methyl-5-(propylsulfanyl)-9,10-dihydro-7H-pyrano[3',4':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[9-ethyl-9-methyl-5-(propylsulfanyl)-9,10-dihydro-7H-pyrano[3',4':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[9-ethyl-9-methyl-5-(propylsulfanyl)-9,10-dihydro-7H-pyrano[3',4':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8640-0030 |
| Compound Name: | 2-{[9-ethyl-9-methyl-5-(propylsulfanyl)-9,10-dihydro-7H-pyrano[3',4':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 498.69 |
| Molecular Formula: | C24 H26 N4 O2 S3 |
| Smiles: | CCCSC1=Nc2c3COC(C)(CC)Cc3sc2c2nnc(n12)SCC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6042 |
| logD: | 5.6042 |
| logSw: | -5.4789 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.027 |
| InChI Key: | FWQBMNSWCPHZIA-DEOSSOPVSA-N |