methyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
methyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0685 |
| Compound Name: | methyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 385.8 |
| Molecular Formula: | C20 H16 Cl N O5 |
| Smiles: | COC(c1ccc(cc1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7564 |
| logD: | 4.7562 |
| logSw: | -4.9154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.443 |
| InChI Key: | TYSBUQZLOXOWDQ-UHFFFAOYSA-N |