7-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | M249-0009 |
| Compound Name: | 7-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C22 H22 F3 N3 O3 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(Nc2cccc(c2)C(F)(F)F)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9128 |
| logD: | 3.9127 |
| logSw: | -4.0862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.666 |
| InChI Key: | BKPOYNNBHZMFQV-UHFFFAOYSA-N |