N-(3-bromophenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3-bromophenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(3-bromophenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2242 |
| Compound Name: | N-(3-bromophenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 440.27 |
| Molecular Formula: | C16 H14 Br N3 O5 S |
| Smiles: | C(CNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)C(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5655 |
| logD: | 2.5319 |
| logSw: | -3.1008 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.405 |
| InChI Key: | BOXPDQGRFTWFFZ-UHFFFAOYSA-N |