propan-2-yl 4-[(1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
propan-2-yl 4-[(1-benzoxepine-4-carbonyl)amino]benzoate
propan-2-yl 4-[(1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0112 |
| Compound Name: | propan-2-yl 4-[(1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C21 H19 N O4 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(C1C=COc2ccccc2C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7765 |
| logD: | 4.7763 |
| logSw: | -4.6407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.387 |
| InChI Key: | OTBPHJNKRPQWAU-UHFFFAOYSA-N |