propan-2-yl 4-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
propan-2-yl 4-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate
propan-2-yl 4-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-0267 |
| Compound Name: | propan-2-yl 4-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 383.83 |
| Molecular Formula: | C21 H18 Cl N O4 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(C1C=COc2ccc(cc2C=1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3883 |
| logD: | 5.3881 |
| logSw: | -6.0393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.387 |
| InChI Key: | KQWBBDNQDQHGNJ-UHFFFAOYSA-N |