3-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-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-sulfonyl)-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-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2538 |
| Compound Name: | 3-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0796 |
| logD: | 2.0796 |
| logSw: | -2.7293 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.419 |
| InChI Key: | AZJXLPQKXVIDNQ-UHFFFAOYSA-N |