2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-phenylacetamide
2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | 8640-0162 |
| Compound Name: | 2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-phenylacetamide |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C25 H22 Cl N3 O4 S |
| Smiles: | [H]N(C(CN1C(N(C(c2c3CC(C)(C)OCc3sc12)=O)c1cccc(c1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7539 |
| logD: | 4.7539 |
| logSw: | -5.0013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.874 |
| InChI Key: | TXOGXIZNYACJPR-UHFFFAOYSA-N |