ethyl 2-({3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 2-({3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
ethyl 2-({3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K892-0337 |
| Compound Name: | ethyl 2-({3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate |
| Molecular Weight: | 539.01 |
| Molecular Formula: | C26 H23 Cl N4 O5 S |
| Smiles: | CCOC(c1ccccc1NC(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0593 |
| logD: | 3.8286 |
| logSw: | -5.2895 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.538 |
| InChI Key: | STHDHDCPMLDPHF-UHFFFAOYSA-N |