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sodium 5-chloro-2-(2-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethoxy}acetamido)benzoate

sodium 5-chloro-2-(2-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethoxy}acetamido)benzoate

CAS: 1103926-82-4

Formula: C28H27ClN3NaO5

SMILES: [Na+].[O-]C(=O)C1=CC(Cl)=CC=C1NC(=O)COCC(=O)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: sodium 5-chloro-2-(2-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethoxy}acetamido)benzoate

InChI: InChI=1S/C28H28ClN3O5.Na/c29-22-11-12-24(23(17-22)28(35)36)30-25(33)18-37-19-26(34)31-13-15-32(16-14-31)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-12,17,27H,13-16,18-19H2,(H,30,33)(H,35,36);/q;+1/p-1

Composition: C (61.82%), H (5.00%), Cl (6.52%), N (7.72%), Na (4.23%), O (14.71%)

Molar Mass: 543.98

Atom Count: 65

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 543.153693
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey JSHSGBIWNPQCQZ-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 152.92
Topological Polar Surface Area 102.01
Polarizability 54.1
Ring Count 4
Rotatable Bond Count 9

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1103926-82-4 $54.27-$674.20$54.27$81.03$113.90$220.15$371.50$674.20
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