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N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-cyclohexylphenoxy)acetamide

N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-cyclohexylphenoxy)acetamide

Formula: C27H27N3O2

SMILES: O=C(COC1=CC=C(C=C1)C1CCCCC1)NC1=CC=C(C=C1)C1=NC2=CC=CC=C2N1

IUPAC: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-cyclohexylphenoxy)acetamide

InChI: InChI=1S/C27H27N3O2/c31-26(18-32-23-16-12-20(13-17-23)19-6-2-1-3-7-19)28-22-14-10-21(11-15-22)27-29-24-8-4-5-9-25(24)30-27/h4-5,8-17,19H,1-3,6-7,18H2,(H,28,31)(H,29,30)

Composition: C (76.21%), H (6.40%), N (9.87%), O (7.52%)

Molar Mass: 425.532

Atom Count: 59

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 425.210327121
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MFUGQVAFBLZGIH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 137.09
Topological Polar Surface Area 67.01
Polarizability 50.36
Ring Count 5
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H27N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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