methyl 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
methyl 2-({3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
methyl 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: | K892-0301 |
| Compound Name: | methyl 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: | 524.98 |
| Molecular Formula: | C25 H21 Cl N4 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccccc1C(=O)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5156 |
| logD: | 3.2849 |
| logSw: | -4.7669 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.958 |
| InChI Key: | WLQZTHNKUOGFOM-UHFFFAOYSA-N |