N-(4-bromophenyl)-3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide
N-(4-bromophenyl)-3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | 5504-0603 |
| Compound Name: | N-(4-bromophenyl)-3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 411.68 |
| Molecular Formula: | C17 H16 Br Cl N2 O3 |
| Smiles: | C1C=C(CC2C1C(N(CCC(Nc1ccc(cc1)[Br])=O)C2=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.052 |
| logD: | 3.0515 |
| logSw: | -3.6075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.811 |
| InChI Key: | HQVUFNLMTDZZHE-UHFFFAOYSA-N |