2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E522-0115 |
| Compound Name: | 2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 625.61 |
| Molecular Formula: | C32 H41 Br N4 O4 |
| Smiles: | CC1CC(C)CN(CCCNC(C2(C)Cn3c(cc4ccc(cc34)OC)C(N2Cc2cc(ccc2OC)[Br])=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7832 |
| logD: | 3.1783 |
| logSw: | -5.6363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.877 |
| InChI Key: | FDWSFXRBELXTDB-UHFFFAOYSA-N |