methyl 4-(2-bromo-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2-bromo-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(2-bromo-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y510-4728 |
| Compound Name: | methyl 4-(2-bromo-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 592.46 |
| Molecular Formula: | C25 H26 Br N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(COc1cc(c(cc1OC)C1C(=C(C)NC(N1)=S)C(=O)OC)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.427 |
| logD: | 3.4159 |
| logSw: | -3.6807 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.696 |
| InChI Key: | YBOPOCDDMGQIAO-QFIPXVFZSA-N |