N-(3-bromophenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-bromophenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
N-(3-bromophenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E667-1004 |
| Compound Name: | N-(3-bromophenyl)-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 473.73 |
| Molecular Formula: | C17 H14 Br Cl N2 O5 S |
| Smiles: | C(CS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)C(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6367 |
| logD: | 2.6152 |
| logSw: | -3.3271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.423 |
| InChI Key: | GHYRONSRCHVCIG-UHFFFAOYSA-N |