N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-cyclooctyl-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-cyclooctyl-N~2~-methylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-cyclooctyl-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3880 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-cyclooctyl-N~2~-methylglycinamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C19 H26 Cl N3 O5 S |
| Smiles: | CN(CC(NC1CCCCCCC1)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7092 |
| logD: | 2.6506 |
| logSw: | -3.5316 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.601 |
| InChI Key: | XFNJXLXJLQQEFN-UHFFFAOYSA-N |