3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2,4-dimethylphenyl)propanoic acid
Chemical Structure Depiction of
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2,4-dimethylphenyl)propanoic acid
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2,4-dimethylphenyl)propanoic acid
Compound characteristics
| Compound ID: | E992-0310 |
| Compound Name: | 3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2,4-dimethylphenyl)propanoic acid |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C22 H26 N2 O6 S |
| Smiles: | CC1CN(C(C)=O)c2cc(ccc2O1)S(NC(CC(O)=O)c1ccc(C)cc1C)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2397 |
| logD: | 0.4388 |
| logSw: | -3.471 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.325 |
| InChI Key: | UQAYOKCTCGRNPU-UHFFFAOYSA-N |