N-[(3-bromophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
N-[(3-bromophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | E686-0080 |
| Compound Name: | N-[(3-bromophenyl)methyl]-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(NCc2cccc(c2)[Br])=O)C2(CCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.656 |
| logD: | 3.656 |
| logSw: | -3.8886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.477 |
| InChI Key: | CGNRLGKHPYEVRU-UHFFFAOYSA-N |