3-[4-(cyclohexylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(cyclohexylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(cyclohexylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2339 |
| Compound Name: | 3-[4-(cyclohexylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C24 H34 N2 O3 |
| Smiles: | C1CCC(CC1)CC(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2257 |
| logD: | 4.2257 |
| logSw: | -4.2366 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.983 |
| InChI Key: | HMQFLZXWJYEMJA-UHFFFAOYSA-N |