N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide
Chemical Structure Depiction of
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide
Compound characteristics
| Compound ID: | V013-9621 |
| Compound Name: | N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C29 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | CC1C(N(CCc2ccc(c(c2)OC)OC)Cc2cc(ccc2O1)NC(c1cnc2ccccc2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7883 |
| logD: | 3.7879 |
| logSw: | -3.9426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.366 |
| InChI Key: | JKLWNWQZAVANGE-SFHVURJKSA-N |