4-{2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
Chemical Structure Depiction of
4-{2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
4-{2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | D391-0035 |
| Compound Name: | 4-{2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | [H]C([H])(C(c1ccc(cc1)S(N1CCC(C)CC1)(=O)=O)=O)N1C(COc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0616 |
| logD: | 2.0616 |
| logSw: | -2.8851 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.141 |
| InChI Key: | RBDDEOKWYHQIJL-UHFFFAOYSA-N |