methyl 4-{3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y510-4727 |
| Compound Name: | methyl 4-{3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 595.46 |
| Molecular Formula: | C24 H26 I N3 O5 S |
| Smiles: | CCOc1cc(cc(c1OCC(Nc1ccc(C)cc1)=O)I)C1C(=C(C)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4248 |
| logD: | 4.4088 |
| logSw: | -4.2999 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.608 |
| InChI Key: | CJFUCYNRLOWIMK-NRFANRHFSA-N |