N-(2-fluorophenyl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(2-fluorophenyl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-2478 |
| Compound Name: | N-(2-fluorophenyl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C23 H26 F N3 O3 |
| Smiles: | C1CCN(C1)C(CCc1ccc2c(CN(CCO2)C(Nc2ccccc2F)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6651 |
| logD: | 3.6651 |
| logSw: | -3.9024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.441 |
| InChI Key: | WUQRZUFBULQKBV-UHFFFAOYSA-N |