ethyl 4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
ethyl 4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G857-0851 |
| Compound Name: | ethyl 4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate |
| Molecular Weight: | 426.29 |
| Molecular Formula: | C16 H16 Br N3 O4 S |
| Smiles: | CCOC(C1=C(C)NC(N=C1SCC(Nc1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5809 |
| logD: | -0.6876 |
| logSw: | -2.9158 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.975 |
| InChI Key: | YHGJOXCSZQVJAZ-UHFFFAOYSA-N |