1-{4-[rel-(2R,3S)-4-cyclopentyl-3-phenylmorpholine-2-carbonyl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(2R,3S)-4-cyclopentyl-3-phenylmorpholine-2-carbonyl]-1,4-diazepan-1-yl}ethan-1-one
1-{4-[rel-(2R,3S)-4-cyclopentyl-3-phenylmorpholine-2-carbonyl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S682-0756 |
| Compound Name: | 1-{4-[rel-(2R,3S)-4-cyclopentyl-3-phenylmorpholine-2-carbonyl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C23 H33 N3 O3 |
| Smiles: | CC(N1CCCN(CC1)C([C@H]1[C@H](c2ccccc2)N(CCO1)C1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2659 |
| logD: | 2.2453 |
| logSw: | -2.4546 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.781 |
| InChI Key: | WNOXCNREDSFOIC-YADHBBJMSA-N |