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5-{[3-carboxy-4-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)phenyl]methyl}-2-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

5-{[3-carboxy-4-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)phenyl]methyl}-2-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

Formula: C33H26Cl4N2O6S2

SMILES: OC(=O)C1=CC(CC2=CC=C(NC(=O)CSCC3=CC=C(Cl)C=C3Cl)C(=C2)C(O)=O)=CC=C1NC(=O)CSCC1=CC=C(Cl)C=C1Cl

IUPAC: 5-{[3-carboxy-4-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)phenyl]methyl}-2-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

InChI: InChI=1S/C33H26Cl4N2O6S2/c34-22-5-3-20(26(36)12-22)14-46-16-30(40)38-28-7-1-18(10-24(28)32(42)43)9-19-2-8-29(25(11-19)33(44)45)39-31(41)17-47-15-21-4-6-23(35)13-27(21)37/h1-8,10-13H,9,14-17H2,(H,38,40)(H,39,41)(H,42,43)(H,44,45)

Composition: C (52.67%), H (3.48%), Cl (18.84%), N (3.72%), O (12.76%), S (8.52%)

Molar Mass: 752.5

Atom Count: 73

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 749.9986397
Formal Charge 0
FSP3 0.15
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey ZSSAPGYMZOQAJW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 193.54
Topological Polar Surface Area 132.8
Polarizability 72.72
Ring Count 4
Rotatable Bond Count 14

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C33H26Cl4N2O6S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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