N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-methylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3930 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-methylglycinamide |
| Molecular Weight: | 497.95 |
| Molecular Formula: | C21 H24 Cl N3 O7 S |
| Smiles: | CN(CC(NCCc1ccc(c(c1)OC)OC)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7879 |
| logD: | 0.7293 |
| logSw: | -2.9533 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.647 |
| InChI Key: | MPDJZSBTIIUHJR-UHFFFAOYSA-N |