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methyl 3-[(2-aminophenyl)amino]-2-(phenylformamido)prop-2-enoate

methyl 3-[(2-aminophenyl)amino]-2-(phenylformamido)prop-2-enoate

CAS: 339025-85-3

Formula: C17H17N3O3

SMILES: COC(=O)C(NC(=O)C1=CC=CC=C1)=CNC1=C(N)C=CC=C1

IUPAC: methyl 3-[(2-aminophenyl)amino]-2-(phenylformamido)prop-2-enoate

InChI: InChI=1S/C17H17N3O3/c1-23-17(22)15(11-19-14-10-6-5-9-13(14)18)20-16(21)12-7-3-2-4-8-12/h2-11,19H,18H2,1H3,(H,20,21)

Composition: C (65.58%), H (5.50%), N (13.50%), O (15.42%)

Molar Mass: 311.341

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 311.126991419
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey GUEBDRFFUZXOCI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.47
Topological Polar Surface Area 93.45
Polarizability 32.92
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339025-85-3 $51.35-$524.40$51.35$63.37$86.31$524.40
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