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{4'-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}acetic acid

{4'-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}acetic acid

CAS: 1228690-19-4

Formula: C27H23ClN2O5

SMILES: C[C@@H](OC(=O)NC1=C(ON=C1C)C1=CC=C(C=C1)C1=CC=C(CC(O)=O)C=C1)C1=CC=CC=C1Cl

IUPAC: 2-{4'-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}acetic acid

InChI: InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1

Composition: C (66.06%), H (4.72%), Cl (7.22%), N (5.71%), O (16.29%)

Molar Mass: 490.94

Atom Count: 58

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 490.1295495
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey WWQTWEWAPUCDDZ-QGZVFWFLSA-N
Lipinski's Rule of Five
Molar Refractivity 133.87
Topological Polar Surface Area 101.66
Polarizability 53.03
Ring Count 4
Rotatable Bond Count 8

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