methyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
methyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0415 |
| Compound Name: | methyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 400.23 |
| Molecular Formula: | C19 H14 Br N O4 |
| Smiles: | COC(c1cccc(c1)NC(C1C=COc2ccc(cc2C=1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0915 |
| logD: | 5.0915 |
| logSw: | -5.0695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.128 |
| InChI Key: | CJEBNYGKEGNPKD-UHFFFAOYSA-N |