N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(6-chloro-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~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-4062 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide |
| Molecular Weight: | 467.88 |
| Molecular Formula: | C19 H18 Cl N3 O7 S |
| Smiles: | CN(CC(NCc1ccc2c(c1)OCO2)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4092 |
| logD: | 1.3506 |
| logSw: | -2.9582 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.66 |
| InChI Key: | FHIWCTAKNXEZNG-UHFFFAOYSA-N |