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1-(4-ethoxyphenyl)-3-({2-[(5-nitropyridin-2-yl)amino]ethyl}amino)pyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-({2-[(5-nitropyridin-2-yl)amino]ethyl}amino)pyrrolidine-2,5-dione

Formula: C19H21N5O5

SMILES: CCOC1=CC=C(C=C1)N1C(=O)CC(NCCNC2=CC=C(C=N2)N(=O)=O)C1=O

IUPAC: 1-(4-ethoxyphenyl)-3-({2-[(5-nitropyridin-2-yl)amino]ethyl}amino)pyrrolidine-2,5-dione

InChI: InChI=1/C19H21N5O5/c1-2-29-15-6-3-13(4-7-15)23-18(25)11-16(19(23)26)20-9-10-21-17-8-5-14(12-22-17)24(27)28/h3-8,12,16,20H,2,9-11H2,1H3,(H,21,22)

Composition: C (57.14%), H (5.30%), N (17.53%), O (20.03%)

Molar Mass: 399.407

Atom Count: 50

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 399.154268796
Formal Charge 0
FSP3 0.32
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey ZKLPAGVDBAQZPP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.7
Topological Polar Surface Area 129.38
Polarizability 39.58
Ring Count 3
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H21N5O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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