N-(4-bromo-3-methylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
N-(4-bromo-3-methylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | C533-1010 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 392.29 |
| Molecular Formula: | C19 H22 Br N O3 |
| Smiles: | CC1CCC2(CC1)C(=C(C)C(=O)O2)C(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9171 |
| logD: | 4.9142 |
| logSw: | -4.6044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.155 |
| InChI Key: | YWDQTURIMAKDTD-UHFFFAOYSA-N |