N-(2,6-dimethylphenyl)-1-[N-(furan-2-ylmethyl)-2-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido]cyclohexane-1-carboxamide

N-(2,6-dimethylphenyl)-1-[N-(furan-2-ylmethyl)-2-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido]cyclohexane-1-carboxamide

Formula: C31H34N4O3S

SMILES: CC1=CC=CC(C)=C1NC(=O)C1(CCCCC1)N(CC1=CC=CO1)C(=O)CSC1=NC(=CN1)C1=CC=CC=C1

IUPAC: N-(2,6-dimethylphenyl)-1-{N-[(furan-2-yl)methyl]-2-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}cyclohexane-1-carboxamide

InChI: InChI=1S/C31H34N4O3S/c1-22-11-9-12-23(2)28(22)34-29(37)31(16-7-4-8-17-31)35(20-25-15-10-18-38-25)27(36)21-39-30-32-19-26(33-30)24-13-5-3-6-14-24/h3,5-6,9-15,18-19H,4,7-8,16-17,20-21H2,1-2H3,(H,32,33)(H,34,37)

Composition: C (68.61%), H (6.32%), N (10.32%), O (8.84%), S (5.91%)

Molar Mass: 542.7

Atom Count: 73

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	542.235162145
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KSCSYYCJKYZRJU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	156.36
Topological Polar Surface Area	91.23
Polarizability	60.84
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H34N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00