N-{3-[benzyl(propan-2-yl)amino]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-[benzyl(propan-2-yl)amino]propyl}-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C700-0235 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 556.72 |
| Molecular Formula: | C29 H40 N4 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(NCCCN(Cc1ccccc1)C(C)C)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2353 |
| logD: | 1.2315 |
| logSw: | -3.7039 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.689 |
| InChI Key: | RKYMSCHYEHODID-UHFFFAOYSA-N |