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
Available: 281 mg
Amount:
mg
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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
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