N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4-dimethoxyphenyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4-dimethoxyphenyl)-N~2~-methylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4-dimethoxyphenyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3856 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4-dimethoxyphenyl)-N~2~-methylglycinamide |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C19 H20 Cl N3 O7 S |
| Smiles: | CN(CC(Nc1ccc(c(c1)OC)OC)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4533 |
| logD: | 1.3947 |
| logSw: | -2.9195 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.483 |
| InChI Key: | LLEYBNXHNZCRNV-UHFFFAOYSA-N |