3-(4-chlorophenyl)-1-[(2-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0551 |
| Compound Name: | 3-(4-chlorophenyl)-1-[(2-methylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C25 H23 Cl N2 O2 S |
| Smiles: | Cc1ccccc1CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.766 |
| logD: | 6.766 |
| logSw: | -6.3258 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.3586 |
| InChI Key: | RBFPOLSAGKJXGR-UHFFFAOYSA-N |