1-[4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
1-[4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | F018-3847 |
| Compound Name: | 1-[4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 418.25 |
| Molecular Formula: | C14 H15 I N2 O3 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)I)O)OC)NC(N1)=S)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.207 |
| logD: | 2.1645 |
| logSw: | -2.7576 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.611 |
| InChI Key: | MVCOGTRDRIIDQJ-LBPRGKRZSA-N |