2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-6-methyl-3-(4-methylphenyl)-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}-6-ethyl-6-methyl-3-(4-methylphenyl)-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}-6-ethyl-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3379-2002 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 525.09 |
| Molecular Formula: | C27 H25 Cl N2 O3 S2 |
| Smiles: | CCC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCC(c1ccc(cc1)[Cl])=O)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4588 |
| logD: | 6.4588 |
| logSw: | -6.4812 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.121 |
| InChI Key: | WNAYJEGAHUBOAQ-MHZLTWQESA-N |