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ethyl 4-(benzenesulfonyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate

ethyl 4-(benzenesulfonyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate

CAS: 860649-16-7

Formula: C22H27NO4S

SMILES: CCOC(=O)C1(CCN(CC2=CC=C(C)C=C2)CC1)S(=O)(=O)C1=CC=CC=C1

IUPAC: ethyl 4-(benzenesulfonyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate

InChI: InChI=1S/C22H27NO4S/c1-3-27-21(24)22(28(25,26)20-7-5-4-6-8-20)13-15-23(16-14-22)17-19-11-9-18(2)10-12-19/h4-12H,3,13-17H2,1-2H3

Composition: C (65.81%), H (6.78%), N (3.49%), O (15.94%), S (7.98%)

Molar Mass: 401.52

Atom Count: 55

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 401.166079527
Formal Charge 0
FSP3 0.41
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey DQBSGZGYQPOXPQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.56
Topological Polar Surface Area 63.68
Polarizability 43.96
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860649-16-7 $51.35-$86.31$51.35$63.37$86.31
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