N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Compound characteristics
Compound ID: | V003-6850 |
Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide |
Molecular Weight: | 491.5 |
Molecular Formula: | C26 H25 N3 O7 |
Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1)[N+]([O-])=O)=O)Cc1cccc(c1OC)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9658 |
logD: | 3.9655 |
logSw: | -4.2647 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.401 |
InChI Key: | VMPNXKAUNCVPPG-MRXNPFEDSA-N |