3-(4-ethoxyphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(4-ethoxyphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0656 |
| Compound Name: | 3-(4-ethoxyphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCCc3sc2N(CC(N2CCCCC2C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5988 |
| logD: | 4.5988 |
| logSw: | -4.3067 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.16 |
| InChI Key: | DXFCHRKOVOPRQF-SFHVURJKSA-N |