3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2402 |
| Compound Name: | 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | Cc1c(C(N2CCOc3ccc(CCC(N4CCCC4)=O)cc3C2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.256 |
| logD: | 2.256 |
| logSw: | -2.6289 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.356 |
| InChI Key: | FBTZKTLHIIDDEH-UHFFFAOYSA-N |