methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4896-3764 |
| Compound Name: | methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 448.28 |
| Molecular Formula: | C15 H17 I N2 O4 S |
| Smiles: | CCOc1cc(cc(c1O)I)C1C(=C(C)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0831 |
| logD: | 3.0604 |
| logSw: | -3.2009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.537 |
| InChI Key: | ZQBNDXCEMFDPRI-LBPRGKRZSA-N |