4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1167 |
| Compound Name: | 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 539.69 |
| Molecular Formula: | C29 H37 N3 O5 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)N(CC(N1CCC(CC1)Cc1ccccc1)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4331 |
| logD: | 4.4331 |
| logSw: | -4.4568 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.767 |
| InChI Key: | FAQQQEKYEMDXTJ-UHFFFAOYSA-N |