N-[4-(butan-2-yl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[4-(butan-2-yl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
N-[4-(butan-2-yl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V010-5854 |
| Compound Name: | N-[4-(butan-2-yl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H21 N3 O5 |
| Smiles: | CCC(C)N1Cc2cc(ccc2OCC1=O)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.152 |
| logD: | 3.1518 |
| logSw: | -3.469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.792 |
| InChI Key: | TUUDTTRNSZTWJC-ZDUSSCGKSA-N |