ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 4464-0516 |
| Compound Name: | ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C16 H18 N4 O4 S2 |
| Smiles: | CCOC(CSC1=NNC2=Nc3c(C(N12)=O)c1CC(C)(C)OCc1s3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5568 |
| logD: | 2.4368 |
| logSw: | -2.2827 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.48 |
| InChI Key: | XKWPAJKTXUHPKD-UHFFFAOYSA-N |