N-(3-chloro-4-methoxyphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
N-(3-chloro-4-methoxyphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0647 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 459.3 |
| Molecular Formula: | C18 H16 Cl2 N2 O6 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3393 |
| logD: | 2.3178 |
| logSw: | -3.1253 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.053 |
| InChI Key: | AAOFKBWIMLMGHM-UHFFFAOYSA-N |