2-ethyl-4-{2-[3-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
Chemical Structure Depiction of
2-ethyl-4-{2-[3-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
2-ethyl-4-{2-[3-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | D391-0140 |
| Compound Name: | 2-ethyl-4-{2-[3-(4-methylpiperidine-1-sulfonyl)phenyl]-2-oxoethyl}-1,4-benzoxazepine-3,5(2H,4H)-dione |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | [H]C([H])(C(c1cccc(c1)S(N1CCC(C)CC1)(=O)=O)=O)N1C(C(CC)Oc2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4826 |
| logD: | 3.4826 |
| logSw: | -3.8299 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.34 |
| InChI Key: | PKLISPGFAYQZGQ-QFIPXVFZSA-N |