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propyl 2-(morpholin-4-yl)-5-[2-(4-nitrophenoxy)acetamido]benzoate

propyl 2-(morpholin-4-yl)-5-[2-(4-nitrophenoxy)acetamido]benzoate

Formula: C22H25N3O7

SMILES: CCCOC(=O)C1=CC(NC(=O)COC2=CC=C(C=C2)[N+]([O-])=O)=CC=C1N1CCOCC1

IUPAC: propyl 2-(morpholin-4-yl)-5-[2-(4-nitrophenoxy)acetamido]benzoate

InChI: InChI=1S/C22H25N3O7/c1-2-11-31-22(27)19-14-16(3-8-20(19)24-9-12-30-13-10-24)23-21(26)15-32-18-6-4-17(5-7-18)25(28)29/h3-8,14H,2,9-13,15H2,1H3,(H,23,26)

Composition: C (59.59%), H (5.68%), N (9.48%), O (25.25%)

Molar Mass: 443.456

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 443.169250157
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey BYGSQWKVJOESKT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118
Topological Polar Surface Area 120.24
Polarizability 44.01
Ring Count 3
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H25N3O7 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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