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2-({3-[(2-methoxyethyl)carbamoyl]phenyl}carbamoyl)benzoic acid

2-({3-[(2-methoxyethyl)carbamoyl]phenyl}carbamoyl)benzoic acid

CAS: 940540-44-3

Formula: C18H18N2O5

SMILES: COCCNC(=O)C1=CC=CC(NC(=O)C2=C(C=CC=C2)C(O)=O)=C1

IUPAC: 2-({3-[(2-methoxyethyl)carbamoyl]phenyl}carbamoyl)benzoic acid

InChI: InChI=1S/C18H18N2O5/c1-25-10-9-19-16(21)12-5-4-6-13(11-12)20-17(22)14-7-2-3-8-15(14)18(23)24/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)(H,23,24)

Composition: C (63.15%), H (5.30%), N (8.18%), O (23.37%)

Molar Mass: 342.351

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 342.121571688
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey VTTGIUMIJSSPSP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.87
Topological Polar Surface Area 104.73
Polarizability 34.36
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 940540-44-3 $212.83-$327.27$212.83$327.27
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