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methyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(4-methylphenoxy)acetamido]benzoate

methyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(4-methylphenoxy)acetamido]benzoate

Formula: C28H29N3O5

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)COC2=CC=C(C)C=C2)=C1

IUPAC: methyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(4-methylphenoxy)acetamido]benzoate

InChI: InChI=1S/C28H29N3O5/c1-20-8-11-23(12-9-20)36-19-26(32)29-24-18-22(28(34)35-2)10-13-25(24)30-14-16-31(17-15-30)27(33)21-6-4-3-5-7-21/h3-13,18H,14-17,19H2,1-2H3,(H,29,32)

Composition: C (68.98%), H (6.00%), N (8.62%), O (16.41%)

Molar Mass: 487.556

Atom Count: 65

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 487.210721046
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey APQXFUVXIHLNHK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 139.37
Topological Polar Surface Area 88.18
Polarizability 51.87
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H29N3O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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