methyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
methyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4386-0099 |
| Compound Name: | methyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCc1s2)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6555 |
| logD: | 3.6555 |
| logSw: | -4.1427 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.199 |
| InChI Key: | JTKZPYMLAJQRHK-UHFFFAOYSA-N |