N-(4-chloro-2-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
N-(4-chloro-2-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E667-0853 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C18 H16 Cl2 N2 O5 S |
| Smiles: | Cc1cc(ccc1NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6893 |
| logD: | 2.6679 |
| logSw: | -3.3585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.725 |
| InChI Key: | NPLOLJJICIFSDB-UHFFFAOYSA-N |