1-([1,4'-bipiperidin]-1'-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-([1,4'-bipiperidin]-1'-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-([1,4'-bipiperidin]-1'-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0727 |
| Compound Name: | 1-([1,4'-bipiperidin]-1'-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C23 H35 N3 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(N3CCC(CC3)N3CCCCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2709 |
| logD: | -1.2847 |
| logSw: | -2.7576 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.872 |
| InChI Key: | LMLSFFNRXZUNPJ-UHFFFAOYSA-N |