3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2280 |
| Compound Name: | 3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C24 H29 N3 O5 |
| Smiles: | COc1ccc(C(N2CCOc3ccc(CCC(N4CCCC4)=O)cc3C2)=O)c(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3924 |
| logD: | 3.3924 |
| logSw: | -3.5493 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.679 |
| InChI Key: | LBEXBLMGQVZYOB-UHFFFAOYSA-N |