ethyl 4-{[4-(2-ethoxy-2-oxoethyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[4-(2-ethoxy-2-oxoethyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-{[4-(2-ethoxy-2-oxoethyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E729-0039 |
| Compound Name: | ethyl 4-{[4-(2-ethoxy-2-oxoethyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Smiles: | CCOC(Cc1ccc(cc1)NC(Nc1c(cnc(n1)SC)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6001 |
| logD: | 2.27 |
| logSw: | -3.6703 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.909 |
| InChI Key: | NEHNNOMGTVQEEG-UHFFFAOYSA-N |