N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[4-(propan-2-yl)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-[4-(propan-2-yl)phenyl]glycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[4-(propan-2-yl)phenyl]glycinamide
Compound characteristics
| Compound ID: | K906-3873 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[4-(propan-2-yl)phenyl]glycinamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H22 Cl N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CN(C)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2566 |
| logD: | 3.198 |
| logSw: | -3.7418 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.222 |
| InChI Key: | KXUXMWBOYVGKQI-UHFFFAOYSA-N |