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2-(2-butyl-4-methyl-6-oxo-1-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pyrimidin-5-yl)-N,N-dimethylacetamide

2-(2-butyl-4-methyl-6-oxo-1-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pyrimidin-5-yl)-N,N-dimethylacetamide

Formula: C27H31N7O2

SMILES: CCCCC1=NC(C)=C(CC(=O)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1

IUPAC: 2-(2-butyl-4-methyl-6-oxo-1-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-5-yl)-N,N-dimethylacetamide

InChI: InChI=1S/C27H31N7O2/c1-5-6-11-24-28-18(2)23(16-25(35)33(3)4)27(36)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)

Composition: C (66.78%), H (6.44%), N (20.19%), O (6.59%)

Molar Mass: 485.592

Atom Count: 67

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 485.253923266
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey YJCTXBGUUHQWBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 153.24
Topological Polar Surface Area 107.44
Polarizability 54.56
Ring Count 4
Rotatable Bond Count 9

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