N-[(4-fluorophenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-[(4-fluorophenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0035 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C22 H26 F N3 O3 |
| Smiles: | C(c1ccc(cc1)F)NC(N1CCOc2ccc(CN3CCOCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2622 |
| logD: | 2.2002 |
| logSw: | -2.8486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.615 |
| InChI Key: | XWZTWYQFCFSNNU-UHFFFAOYSA-N |