2-methyl-4-{2-oxo-2-[3-(pyrrolidine-1-sulfonyl)phenyl]ethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
Chemical Structure Depiction of
2-methyl-4-{2-oxo-2-[3-(pyrrolidine-1-sulfonyl)phenyl]ethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
2-methyl-4-{2-oxo-2-[3-(pyrrolidine-1-sulfonyl)phenyl]ethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | D391-0089 |
| Compound Name: | 2-methyl-4-{2-oxo-2-[3-(pyrrolidine-1-sulfonyl)phenyl]ethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H22 N2 O6 S |
| Smiles: | [H]C([H])(C(c1cccc(c1)S(N1CCCC1)(=O)=O)=O)N1C(C(C)Oc2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0801 |
| logD: | 2.0801 |
| logSw: | -3.0187 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.511 |
| InChI Key: | JBGUQNKSVOEVDZ-HNNXBMFYSA-N |