2-{[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}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[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}-1-phenylethan-1-one
2-{[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}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8640-0023 |
| Compound Name: | 2-{[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}-1-phenylethan-1-one |
| Molecular Weight: | 484.66 |
| Molecular Formula: | C23 H24 N4 O2 S3 |
| Smiles: | CCCSC1=Nc2c(c3CC(C)(C)OCc3s2)c2nnc(n12)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0516 |
| logD: | 5.0516 |
| logSw: | -4.9593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.968 |
| InChI Key: | ASRPYFWVVUCMPU-UHFFFAOYSA-N |