ethyl 1-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K892-0335 |
| Compound Name: | ethyl 1-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 531.03 |
| Molecular Formula: | C25 H27 Cl N4 O5 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9255 |
| logD: | 3.9254 |
| logSw: | -4.5407 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.726 |
| InChI Key: | CPCOWZUDPROIDH-INIZCTEOSA-N |