N-(4-bromo-3-methylphenyl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide
N-(4-bromo-3-methylphenyl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide
Compound characteristics
| Compound ID: | C562-1054 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide |
| Molecular Weight: | 510.41 |
| Molecular Formula: | C21 H24 Br N3 O5 S |
| Smiles: | CC(C)CC(C(Nc1ccc(c(C)c1)[Br])=O)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4606 |
| logD: | 4.4594 |
| logSw: | -4.3257 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.069 |
| InChI Key: | NAOUIHZGOUGWJX-KRWDZBQOSA-N |