2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethan-1-one
2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8640-0295 |
| Compound Name: | 2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 430.61 |
| Molecular Formula: | C21 H22 N2 O2 S3 |
| Smiles: | CCC1(C)Cc2c3c(nc(nc3sc2CO1)SC)SCC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8857 |
| logD: | 5.8857 |
| logSw: | -5.8554 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 39.555 |
| InChI Key: | KYJWRVQLQCESGW-NRFANRHFSA-N |