{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8640-0096 |
| Compound Name: | {[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C16 H18 N2 O4 S2 |
| Smiles: | [H]OC(CSC1=Nc2c(C(N1CC=C)=O)c1CC(C)(C)OCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3127 |
| logD: | -0.2679 |
| logSw: | -1.9338 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.196 |
| InChI Key: | SNSLCCKLTIUTBA-UHFFFAOYSA-N |