N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | G805-1017 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C20 H21 N3 O7 S |
| Smiles: | Cc1cc2c(cc1S(N(C)CC(NCc1ccc3c(c1)OCO3)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1497 |
| logD: | 1.1492 |
| logSw: | -2.5611 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.66 |
| InChI Key: | WUMIEEZJNMWUSK-UHFFFAOYSA-N |