N-(4-fluoro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-(4-fluoro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-(4-fluoro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | E557-0418 |
| Compound Name: | N-(4-fluoro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C21 H22 F N3 O5 S |
| Smiles: | Cc1cc(ccc1NC(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.2631 |
| logD: | 2.2627 |
| logSw: | -2.9886 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.597 |
| InChI Key: | QMDFYQJLZWMLBT-UHFFFAOYSA-N |