N-(4-acetylphenyl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
N-(4-acetylphenyl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C562-1365 |
| Compound Name: | N-(4-acetylphenyl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C25 H23 N3 O6 S |
| Smiles: | CC(c1ccc(cc1)NC(C(Cc1ccccc1)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0025 |
| logD: | 2.9933 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.624 |
| InChI Key: | MGPOYYIAQILUGJ-NRFANRHFSA-N |