1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | V006-0637 |
| Compound Name: | 1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide |
| Molecular Weight: | 624.37 |
| Molecular Formula: | C26 H32 Br2 N4 O4 |
| Smiles: | CC(C)c1cc(c(c(c1)[Br])NC(NCCC(N1CCC(CC1)C(Nc1ccc(cc1)OC)=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.735 |
| logD: | 3.735 |
| logSw: | -4.0382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.337 |
| InChI Key: | DCFFWFUJBKFQDK-UHFFFAOYSA-N |