3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2-methoxyphenyl)propanoic acid
Chemical Structure Depiction of
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2-methoxyphenyl)propanoic acid
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2-methoxyphenyl)propanoic acid
Compound characteristics
| Compound ID: | E992-0162 |
| Compound Name: | 3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(2-methoxyphenyl)propanoic acid |
| Molecular Weight: | 448.49 |
| Molecular Formula: | C21 H24 N2 O7 S |
| Smiles: | CC1CN(C(C)=O)c2cc(ccc2O1)S(NC(CC(O)=O)c1ccccc1OC)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2921 |
| logD: | -0.5089 |
| logSw: | -2.8677 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.955 |
| InChI Key: | HEUMFVYCKHUVQH-UHFFFAOYSA-N |