N-[(2-bromophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-[(2-bromophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | M575-1335 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | COCCN1C(C(NCc2ccccc2[Br])=O)c2ccccc2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9145 |
| logD: | 2.9145 |
| logSw: | -3.1458 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.206 |
| InChI Key: | WDMADQVVFLRPMK-LJQANCHMSA-N |