benzyl [3-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
benzyl [3-(3,4-dimethylphenyl)-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: | C200-0740 |
| Compound Name: | benzyl [3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCc3sc2N(CC(=O)OCc2ccccc2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4801 |
| logD: | 5.4801 |
| logSw: | -5.3557 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.928 |
| InChI Key: | RCOZOHYAURUATG-UHFFFAOYSA-N |