1-[4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-phenyl-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-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
1-[4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | F018-3876 |
| Compound Name: | 1-[4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 480.32 |
| Molecular Formula: | C19 H17 I N2 O3 S |
| Smiles: | CC(C1C(c2cc(c(c(c2)I)O)OC)NC(NC=1c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5519 |
| logD: | 3.4608 |
| logSw: | -3.705 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.84 |
| InChI Key: | IMCDDBBEKOLGKL-KRWDZBQOSA-N |