N-(4-bromo-3-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
N-(4-bromo-3-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | C533-1313 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 378.26 |
| Molecular Formula: | C18 H20 Br N O3 |
| Smiles: | CC1=C(C(Nc2ccc(c(C)c2)[Br])=O)C2(CCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.3768 |
| logD: | 4.3738 |
| logSw: | -4.3756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.155 |
| InChI Key: | WJSLWGGSFWWWDB-UHFFFAOYSA-N |