ethyl 4-amino-2-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0079 |
| Compound Name: | ethyl 4-amino-2-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C18 H22 N4 O3 S |
| Smiles: | CCc1cccc(C)c1NC(CSc1ncc(C(=O)OCC)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9384 |
| logD: | 2.9384 |
| logSw: | -3.1977 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.986 |
| InChI Key: | RPXPDHLSJFMRPJ-UHFFFAOYSA-N |