4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
Chemical Structure Depiction of
4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | D391-0047 |
| Compound Name: | 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C19 H17 N O6 |
| Smiles: | [H]C([H])(C(c1ccc(c(c1)OC)OC)=O)N1C(COc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3496 |
| logD: | 1.3496 |
| logSw: | -2.2938 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.691 |
| InChI Key: | KXCFLLQJVJNGCD-UHFFFAOYSA-N |