2-[(5-bromo-2-methoxyphenyl)methyl]-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
2-[(5-bromo-2-methoxyphenyl)methyl]-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
2-[(5-bromo-2-methoxyphenyl)methyl]-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E522-0085 |
| Compound Name: | 2-[(5-bromo-2-methoxyphenyl)methyl]-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 556.46 |
| Molecular Formula: | C27 H30 Br N3 O5 |
| Smiles: | CC1(Cn2c(cc3ccc(cc23)OC)C(N1Cc1cc(ccc1OC)[Br])=O)C(NCC1CCCO1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1918 |
| logD: | 4.1918 |
| logSw: | -4.4388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.84 |
| InChI Key: | MTYJCGRWWPLAKD-UHFFFAOYSA-N |