methyl 2-[2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
methyl 2-[2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C200-0577 |
| Compound Name: | methyl 2-[2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C27 H25 N3 O5 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(Cc2ccccc2)C(c2c3CCCCc3sc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8873 |
| logD: | 4.8769 |
| logSw: | -4.6758 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.265 |
| InChI Key: | AXDQQJRKEGNPGX-UHFFFAOYSA-N |