3-(3,4-dimethylphenyl)-1-[(2,4,6-trimethylphenyl)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-(3,4-dimethylphenyl)-1-[(2,4,6-trimethylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(3,4-dimethylphenyl)-1-[(2,4,6-trimethylphenyl)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: | C258-0526 |
| Compound Name: | 3-(3,4-dimethylphenyl)-1-[(2,4,6-trimethylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 472.65 |
| Molecular Formula: | C29 H32 N2 O2 S |
| Smiles: | Cc1cc(C)c(CN2C(N(C(c3c4CCCCCc4sc23)=O)c2ccc(C)c(C)c2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.1025 |
| logD: | 8.1025 |
| logSw: | -5.5798 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.3586 |
| InChI Key: | VJLMTNOVYYSMQU-UHFFFAOYSA-N |