4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
Chemical Structure Depiction of
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | D391-0030 |
| Compound Name: | 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione |
| Molecular Weight: | 359.76 |
| Molecular Formula: | C18 H14 Cl N O5 |
| Smiles: | [H]C([H])(C(c1ccc(c(c1)[Cl])OC)=O)N1C(COc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0457 |
| logD: | 2.0457 |
| logSw: | -3.186 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.061 |
| InChI Key: | QANZMDWKMHFKKZ-UHFFFAOYSA-N |