3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y044-0879 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C(CN1C=Nc2c(C1=O)c1CCCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3478 |
| logD: | 3.3478 |
| logSw: | -3.7553 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.001 |
| InChI Key: | WQYNSGFSEMGLAW-UHFFFAOYSA-N |