propyl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
propyl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
propyl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0412 |
| Compound Name: | propyl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 428.28 |
| Molecular Formula: | C21 H18 Br N O4 |
| Smiles: | CCCOC(c1ccc(cc1)NC(C1C=COc2ccc(cc2C=1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9334 |
| logD: | 5.9331 |
| logSw: | -5.5885 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.002 |
| InChI Key: | LNKLVLPLMLVBLR-UHFFFAOYSA-N |