N-[(2-bromophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
N-[(2-bromophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | E686-0216 |
| Compound Name: | N-[(2-bromophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide |
| Molecular Weight: | 392.29 |
| Molecular Formula: | C19 H22 Br N O3 |
| Smiles: | CC1=C(C(NCc2ccccc2[Br])=O)C2(CCCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.271 |
| logD: | 4.271 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.808 |
| InChI Key: | ABEZTWCBBIHDTE-UHFFFAOYSA-N |