N-ethyl-7-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0409 |
| Compound Name: | N-ethyl-7-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C22 H26 F N3 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(NCc3ccc(cc3)F)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7707 |
| logD: | 2.7707 |
| logSw: | -3.0659 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.071 |
| InChI Key: | PPAUVYOXIIENJG-UHFFFAOYSA-N |