methyl 4,5-dimethoxy-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
methyl 4,5-dimethoxy-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0789 |
| Compound Name: | methyl 4,5-dimethoxy-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C22 H21 N O7 |
| Smiles: | COC(c1cc(c(cc1NC(C1C=COc2ccc(cc2C=1)OC)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6838 |
| logD: | 3.2382 |
| logSw: | -4.061 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.235 |
| InChI Key: | HNPYMISMVPOHLQ-UHFFFAOYSA-N |