methyl N-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}glycinate
Chemical Structure Depiction of
methyl N-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}glycinate
methyl N-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}glycinate
Compound characteristics
| Compound ID: | K892-0344 |
| Compound Name: | methyl N-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}glycinate |
| Molecular Weight: | 462.91 |
| Molecular Formula: | C20 H19 Cl N4 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(NCC(=O)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6875 |
| logD: | 2.6873 |
| logSw: | -3.6753 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.654 |
| InChI Key: | FWLSASKGZZLGKN-UHFFFAOYSA-N |