N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethoxyphenyl)-N,N~2~-dimethylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethoxyphenyl)-N,N~2~-dimethylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethoxyphenyl)-N,N~2~-dimethylglycinamide
Compound characteristics
| Compound ID: | G938-1048 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethoxyphenyl)-N,N~2~-dimethylglycinamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C20 H22 Cl N3 O6 S |
| Smiles: | CCOc1ccc(cc1)N(C)C(CN(C)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6054 |
| logD: | 1.5468 |
| logSw: | -3.016 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.31 |
| InChI Key: | RRQPKVITJKAGAN-UHFFFAOYSA-N |