ethyl 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
ethyl N-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}glycinate
ethyl 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: | K892-0320 |
| Compound Name: | ethyl 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: | 476.94 |
| Molecular Formula: | C21 H21 Cl N4 O5 S |
| Smiles: | CCOC(CNC(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2114 |
| logD: | 3.2113 |
| logSw: | -3.8034 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.234 |
| InChI Key: | YRVCGXDPADXYDY-UHFFFAOYSA-N |