N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[3-(methylsulfanyl)phenyl]glycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[3-(methylsulfanyl)phenyl]glycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[3-(methylsulfanyl)phenyl]glycinamide
Compound characteristics
| Compound ID: | K906-3891 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[3-(methylsulfanyl)phenyl]glycinamide |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C18 H18 Cl N3 O5 S2 |
| Smiles: | CN(CC(Nc1cccc(c1)SC)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3793 |
| logD: | 2.3207 |
| logSw: | -3.3196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.222 |
| InChI Key: | NKVHSSZYYZHJMP-UHFFFAOYSA-N |