3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0269 |
| Compound Name: | 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 557.02 |
| Molecular Formula: | C26 H25 Cl N4 O6 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1cc(c(c(c1)OC)OC)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9734 |
| logD: | 3.8337 |
| logSw: | -4.5767 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.46 |
| InChI Key: | ZSLIRESIBHWOPG-UHFFFAOYSA-N |