N-[2,6-dibromo-4-(propan-2-yl)phenyl]-7-methyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Chemical Structure Depiction of
N-[2,6-dibromo-4-(propan-2-yl)phenyl]-7-methyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
N-[2,6-dibromo-4-(propan-2-yl)phenyl]-7-methyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Compound characteristics
| Compound ID: | V006-3754 |
| Compound Name: | N-[2,6-dibromo-4-(propan-2-yl)phenyl]-7-methyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide |
| Molecular Weight: | 535.28 |
| Molecular Formula: | C23 H25 Br2 N3 O2 |
| Smiles: | CC(C)c1cc(c(c(c1)[Br])NC(N1CC2c3ccccc3C(C)CN2C(C1)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8836 |
| logD: | 4.8836 |
| logSw: | -4.5009 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.353 |
| InChI Key: | OIYROLWVSZWGNM-UHFFFAOYSA-N |