N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | G938-1254 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N(C)CC(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7358 |
| logD: | 1.7352 |
| logSw: | -2.7234 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.998 |
| InChI Key: | KROUKMKYCWIKCQ-CYBMUJFWSA-N |