3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(4-methoxyphenyl)propanoic acid
Chemical Structure Depiction of
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(4-methoxyphenyl)propanoic acid
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(4-methoxyphenyl)propanoic acid
Compound characteristics
Compound ID: | E797-0869 |
Compound Name: | 3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-(4-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)c1ccc(cc1)OC)(=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.2238 |
logD: | -0.5771 |
logSw: | -2.8664 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.869 |
InChI Key: | ZJHHICKHXXLJFY-UHFFFAOYSA-N |