2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4333-3827 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 527.06 |
| Molecular Formula: | C26 H23 Cl N2 O4 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4472 |
| logD: | 5.4472 |
| logSw: | -6.1143 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.256 |
| InChI Key: | YIJMBENJQKAAGD-UHFFFAOYSA-N |