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(6-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid

(6-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid

Formula: C29H32O7S

SMILES: CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC=CC(COC2=CC3=C(C=C2)C(CC(O)=O)CO3)=C1

IUPAC: 2-(6-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid

InChI: InChI=1/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)

Composition: C (66.39%), H (6.15%), O (21.35%), S (6.11%)

Molar Mass: 524.63

Atom Count: 69

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 524.186874544
Formal Charge 0
FSP3 0.34
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey BZCALJIHZVNMGJ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 142.67
Topological Polar Surface Area 99.13
Polarizability 56.94
Ring Count 4
Rotatable Bond Count 11

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