benzyl [7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]acetate
benzyl [7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C728-0383 |
| Compound Name: | benzyl [7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C28 H25 N3 O6 S |
| Smiles: | CC(c1cccc(c1)N1C(c2c3CCN(Cc3sc2N(CC(=O)OCc2ccccc2)C1=O)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7969 |
| logD: | 2.7969 |
| logSw: | -3.3028 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.518 |
| InChI Key: | ZKKUVSPHKRAQLL-UHFFFAOYSA-N |