propan-2-yl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
propan-2-yl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
propan-2-yl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0417 |
| Compound Name: | propan-2-yl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 428.28 |
| Molecular Formula: | C21 H18 Br N O4 |
| Smiles: | CC(C)OC(c1cccc(c1)NC(C1C=COc2ccc(cc2C=1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6964 |
| logD: | 5.6964 |
| logSw: | -5.5798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.387 |
| InChI Key: | DFMYSLKRSXWOHF-UHFFFAOYSA-N |