1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
Compound ID: | C258-0512 |
Compound Name: | 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
Molecular Weight: | 465.01 |
Molecular Formula: | C26 H25 Cl N2 O2 S |
Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(Cc2ccccc2[Cl])C1=O)=O |
Stereo: | ACHIRAL |
logP: | 7.169 |
logD: | 7.169 |
logSw: | -6.4248 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 31.3586 |
InChI Key: | LUIVEOMEIIACRP-UHFFFAOYSA-N |