N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | G938-0796 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C19 H24 Cl N3 O5 S |
| Smiles: | CN(CC(NCCC1CCCCC=1)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6413 |
| logD: | 1.5827 |
| logSw: | -2.9738 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.578 |
| InChI Key: | ORXRMGVKUIQOMY-UHFFFAOYSA-N |