3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | C258-0569 |
| Compound Name: | 3-(4-chlorophenyl)-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: | 486.03 |
| Molecular Formula: | C25 H28 Cl N3 O3 S |
| Smiles: | CC1CCCCN1C(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8246 |
| logD: | 4.8246 |
| logSw: | -5.0318 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.036 |
| InChI Key: | FYRQACYZTSYYEH-INIZCTEOSA-N |