N-[3-(dimethylamino)-4-methylphenyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-[3-(dimethylamino)-4-methylphenyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-[3-(dimethylamino)-4-methylphenyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1413 |
| Compound Name: | N-[3-(dimethylamino)-4-methylphenyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CC(CC(Nc1ccc(C)c(c1)N(C)C)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7168 |
| logD: | 2.7164 |
| logSw: | -3.2993 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.663 |
| InChI Key: | QASHNEIGGIVGRO-HNNXBMFYSA-N |