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ethyl 4-{2-[(4-chlorophenyl)carbamoyl]ethyl}piperazine-1-carboxylate

ethyl 4-{2-[(4-chlorophenyl)carbamoyl]ethyl}piperazine-1-carboxylate

Formula: C16H22ClN3O3

SMILES: CCOC(=O)N1CCN(CCC(=O)NC2=CC=C(Cl)C=C2)CC1

IUPAC: ethyl 4-{2-[(4-chlorophenyl)carbamoyl]ethyl}piperazine-1-carboxylate

InChI: InChI=1S/C16H22ClN3O3/c1-2-23-16(22)20-11-9-19(10-12-20)8-7-15(21)18-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,21)

Composition: C (56.55%), H (6.53%), Cl (10.43%), N (12.37%), O (14.12%)

Molar Mass: 339.82

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 339.1349693
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SMWJCEHGTFFKQH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.55
Topological Polar Surface Area 61.88
Polarizability 34.55
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H22ClN3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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