benzyl [3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
benzyl [3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
Compound characteristics
| Compound ID: | C258-0404 |
| Compound Name: | benzyl [3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate |
| Molecular Weight: | 466.94 |
| Molecular Formula: | C24 H19 Cl N2 O4 S |
| Smiles: | C1Cc2c3C(N(C(N(CC(=O)OCc4ccccc4)c3sc2C1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9423 |
| logD: | 4.9423 |
| logSw: | -5.3646 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.928 |
| InChI Key: | KGYXTXCWMZFUAC-UHFFFAOYSA-N |