N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3920 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide |
| Molecular Weight: | 496.95 |
| Molecular Formula: | C19 H17 Cl N4 O6 S2 |
| Smiles: | CN(CC(Nc1nc2ccc(cc2s1)OC)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7447 |
| logD: | 2.6861 |
| logSw: | -3.4926 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.527 |
| InChI Key: | VJJYSDJYUHZCAM-UHFFFAOYSA-N |