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methyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C24H30ClN3O4

SMILES: CCN1CCN(CC1)C1=CC=C(C=C1NC(=O)C(C)(C)OC1=CC=C(Cl)C=C1)C(=O)OC

IUPAC: methyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C24H30ClN3O4/c1-5-27-12-14-28(15-13-27)21-11-6-17(22(29)31-4)16-20(21)26-23(30)24(2,3)32-19-9-7-18(25)8-10-19/h6-11,16H,5,12-15H2,1-4H3,(H,26,30)

Composition: C (62.67%), H (6.57%), Cl (7.71%), N (9.14%), O (13.91%)

Molar Mass: 459.97

Atom Count: 62

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 459.1924842
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RMSDLMKGISHAOV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 128.15
Topological Polar Surface Area 71.11
Polarizability 48.44
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H30ClN3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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