methyl 4-[(8-methyl-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(8-methyl-1-benzoxepine-4-carbonyl)amino]benzoate
methyl 4-[(8-methyl-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D547-0209 |
| Compound Name: | methyl 4-[(8-methyl-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C20 H17 N O4 |
| Smiles: | Cc1ccc2C=C(C=COc2c1)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7682 |
| logD: | 4.768 |
| logSw: | -4.5784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.128 |
| InChI Key: | IKPPUXDQIQGXSB-UHFFFAOYSA-N |