butyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
butyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0688 |
| Compound Name: | butyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 427.88 |
| Molecular Formula: | C23 H22 Cl N O5 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2518 |
| logD: | 6.2515 |
| logSw: | -6.1838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.317 |
| InChI Key: | FJIILBYSWYAPNC-UHFFFAOYSA-N |