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4-[(2-{4-[1-(2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbut-2-enamide

4-[(2-{4-[1-(2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbut-2-enamide

CAS: 2052128-15-9

Formula: C31H34N4O2

SMILES: CCC(=C(C1=CC=C(OCCNCC=CC(=O)N(C)C)C=C1)C1=CC2=CNN=C2C=C1)C1=CC=CC=C1

IUPAC: 4-[(2-{4-[1-(2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbut-2-enamide

InChI: InChI=1S/C31H34N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-17,21-22,32H,4,18-20H2,1-3H3,(H,33,34)

Composition: C (75.28%), H (6.93%), N (11.33%), O (6.47%)

Molar Mass: 494.639

Atom Count: 71

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 494.268176351
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey BYAUIDXIQATDBT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 161
Topological Polar Surface Area 70.25
Polarizability 58.93
Ring Count 4
Rotatable Bond Count 11

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Purity LeadTime CAS UnitPrice
98% <10 Days 2052128-15-9 Quote Only
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98% <10 Days 2052128-15-9 Quote Only
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98% <4 Days 2052128-15-9 $132.24-$685.67$132.24$217.85$408.95$685.67
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