propyl 3-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
propyl 3-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate
propyl 3-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0272 |
| Compound Name: | propyl 3-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 383.83 |
| Molecular Formula: | C21 H18 Cl N O4 |
| Smiles: | CCCOC(c1cccc(c1)NC(C1C=COc2ccc(cc2C=1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9865 |
| logD: | 5.9864 |
| logSw: | -6.2023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.002 |
| InChI Key: | TZMLSNVNBCUOJG-UHFFFAOYSA-N |