N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-nitrobenzamide
N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V014-5905 |
| Compound Name: | N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-nitrobenzamide |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C25 H23 N3 O5 |
| Smiles: | CCC1C(N(Cc2ccccc2)Cc2cc(ccc2O1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4625 |
| logD: | 4.4622 |
| logSw: | -4.4086 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.248 |
| InChI Key: | SSVWDDJZVBMSHI-JOCHJYFZSA-N |