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3-[3-(cyclopentylsulfanyl)-5-[({4'-methanesulfonyl-2-methyl-[1,1'-biphenyl]-4-yl}oxy)methyl]-1,2,4-triazol-4-yl]pyridine

3-[3-(cyclopentylsulfanyl)-5-[({4'-methanesulfonyl-2-methyl-[1,1'-biphenyl]-4-yl}oxy)methyl]-1,2,4-triazol-4-yl]pyridine

CAS: 1418013-75-8

Formula: C27H28N4O3S2

SMILES: CC1=C(C=CC(OCC2=NN=C(SC3CCCC3)N2C2=CN=CC=C2)=C1)C1=CC=C(C=C1)S(C)(=O)=O

IUPAC: 3-[3-(cyclopentylsulfanyl)-5-[({4'-methanesulfonyl-2-methyl-[1,1'-biphenyl]-4-yl}oxy)methyl]-4H-1,2,4-triazol-4-yl]pyridine

InChI: InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3

Composition: C (62.29%), H (5.42%), N (10.76%), O (9.22%), S (12.32%)

Molar Mass: 520.67

Atom Count: 64

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 520.160283126
Formal Charge 0
FSP3 0.3
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey UJGTUKMAJVCBIS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 155.39
Topological Polar Surface Area 86.97
Polarizability 57.98
Ring Count 5
Rotatable Bond Count 8

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