ethyl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
ethyl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0690 |
| Compound Name: | ethyl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C21 H18 Cl N O5 |
| Smiles: | CCOC(c1cccc(c1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4477 |
| logD: | 5.4476 |
| logSw: | -6.0001 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.023 |
| InChI Key: | MSECRJKDVUCNAY-UHFFFAOYSA-N |