N-(4-bromophenyl)-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxamide
N-(4-bromophenyl)-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxamide
Compound characteristics
| Compound ID: | 6564-0019 |
| Compound Name: | N-(4-bromophenyl)-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxamide |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C22 H21 Br N2 O3 |
| Smiles: | C1CCC23C(C1)C(C(C(Nc1ccc(cc1)[Br])=O)C(N2)=O)c1ccccc1O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2963 |
| logD: | 4.2941 |
| logSw: | -4.5868 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.451 |
| InChI Key: | PVKFLVAXFFRBMI-UHFFFAOYSA-N |