methyl 3-[(7-methyl-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(7-methyl-1-benzoxepine-4-carbonyl)amino]benzoate
methyl 3-[(7-methyl-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D547-0092 |
| Compound Name: | methyl 3-[(7-methyl-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C20 H17 N O4 |
| Smiles: | Cc1ccc2c(C=C(C=CO2)C(Nc2cccc(c2)C(=O)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7076 |
| logD: | 4.7076 |
| logSw: | -4.562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.128 |
| InChI Key: | LCWHOSDUWOTGJI-UHFFFAOYSA-N |