1-[(4-tert-butylphenyl)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-[(4-tert-butylphenyl)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-[(4-tert-butylphenyl)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: | C258-0533 |
| Compound Name: | 1-[(4-tert-butylphenyl)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: | 486.68 |
| Molecular Formula: | C30 H34 N2 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(Cc2ccc(cc2)C(C)(C)C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.4796 |
| logD: | 8.4796 |
| logSw: | -5.6526 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.3586 |
| InChI Key: | MQJURGODICIESG-UHFFFAOYSA-N |