N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C700-0479 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 582.76 |
| Molecular Formula: | C31 H42 N4 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(NCCCN1CCC(CC1)Cc1ccccc1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8012 |
| logD: | 1.709 |
| logSw: | -4.0293 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.803 |
| InChI Key: | PRQIGNZUCQTYBP-UHFFFAOYSA-N |