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5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-(²H?)methoxybenzamide

5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-(²H?)methoxybenzamide

CAS: 1219803-02-7

Formula: C23H28ClN3O5S

SMILES: [2H]C([2H])([2H])OC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1

IUPAC: 5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-(²H?)methoxybenzamide

InChI: InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i1D3

Composition: C (55.58%), H (5.07%), [2H] (1.22%), Cl (7.13%), N (8.45%), O (16.09%), S (6.45%)

Molar Mass: 497.02

Atom Count: 61

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 496.1626501
Formal Charge 0
FSP3 0.39
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey ZNNLBTZKUZBEKO-FIBGUPNXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.98
Topological Polar Surface Area 113.6
Polarizability 49.54
Ring Count 3
Rotatable Bond Count 7

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Purity (%)
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Ships Within
Days
Packet Size
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1219803-02-7 $51.00-$151.98$51.00$84.66$151.98
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