ethyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
ethyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0416 |
| Compound Name: | ethyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 414.25 |
| Molecular Formula: | C20 H16 Br N O4 |
| Smiles: | CCOC(c1cccc(c1)NC(C1C=COc2ccc(cc2C=1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6022 |
| logD: | 5.6022 |
| logSw: | -5.5112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.708 |
| InChI Key: | MNSASEHVRTXALQ-UHFFFAOYSA-N |