1-(3,3-dimethyl-2-oxobutyl)-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-(3,3-dimethyl-2-oxobutyl)-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-(3,3-dimethyl-2-oxobutyl)-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: | C258-0514 |
| Compound Name: | 1-(3,3-dimethyl-2-oxobutyl)-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: | 438.59 |
| Molecular Formula: | C25 H30 N2 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC(C(C)(C)C)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0059 |
| logD: | 6.0059 |
| logSw: | -5.3374 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.877 |
| InChI Key: | SCSVQVMZUDIOJL-UHFFFAOYSA-N |