N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N,N~2~-dimethylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N,N~2~-dimethylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N,N~2~-dimethylglycinamide
Compound characteristics
| Compound ID: | G938-1147 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N,N~2~-dimethylglycinamide |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C21 H22 Cl N3 O7 S |
| Smiles: | CN(CC1COc2ccccc2O1)C(CN(C)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2914 |
| logD: | 1.2328 |
| logSw: | -2.8803 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.647 |
| InChI Key: | JRQWTFVPLWABEU-ZDUSSCGKSA-N |