heptyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
heptyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
heptyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2326-3202 |
| Compound Name: | heptyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 455.35 |
| Molecular Formula: | C20 H27 Br N2 O5 |
| Smiles: | CCCCCCCOC(C1C(c2cc(c(c(c2)[Br])O)OC)NC(NC=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.112 |
| logD: | 3.9617 |
| logSw: | -4.0084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.849 |
| InChI Key: | VBNVTPVWGQZFMX-KRWDZBQOSA-N |