2-methylbutyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methylbutyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
2-methylbutyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K833-0171 |
| Compound Name: | 2-methylbutyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C20 H21 Cl N2 O3 S |
| Smiles: | CCC(C)COC(c1c(C)c2C(N(Cc3ccccc3[Cl])C=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8351 |
| logD: | 4.8351 |
| logSw: | -5.0216 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.37 |
| InChI Key: | DEFZFNNHGNENNB-LBPRGKRZSA-N |