2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate
Chemical Structure Depiction of
2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate
2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate
Compound characteristics
| Compound ID: | V016-8457 |
| Compound Name: | 2-({4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamoyl)phenyl acetate |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C27 H26 N2 O7 |
| Smiles: | CC(=O)Oc1ccccc1C(Nc1ccc2c(CN(Cc3cccc(c3OC)OC)C(CO2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8125 |
| logD: | 2.8116 |
| logSw: | -3.6308 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.853 |
| InChI Key: | PXLLWJBTKHQKHZ-UHFFFAOYSA-N |