N-{3-[benzyl(methyl)amino]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-{3-[benzyl(methyl)amino]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | E245-0484 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | Cc1cc2c(cc1S(NCCCN(C)Cc1ccccc1)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.933 |
| logD: | 0.8808 |
| logSw: | -2.7879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.202 |
| InChI Key: | YJPVLPNGMVDGNL-UHFFFAOYSA-N |