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N-{4-chloro-3-[5-(dimethylamino)-1H-1,3-benzodiazol-2-yl]phenyl}-3,5-dimethoxybenzamide

N-{4-chloro-3-[5-(dimethylamino)-1H-1,3-benzodiazol-2-yl]phenyl}-3,5-dimethoxybenzamide

CAS: 496794-70-8

Formula: C24H23ClN4O3

SMILES: COC1=CC(=CC(OC)=C1)C(=O)NC1=CC(C2=NC3=CC(=CC=C3N2)N(C)C)=C(Cl)C=C1

IUPAC: N-{4-chloro-3-[5-(dimethylamino)-1H-1,3-benzodiazol-2-yl]phenyl}-3,5-dimethoxybenzamide

InChI: InChI=1S/C24H23ClN4O3/c1-29(2)16-6-8-21-22(12-16)28-23(27-21)19-11-15(5-7-20(19)25)26-24(30)14-9-17(31-3)13-18(10-14)32-4/h5-13H,1-4H3,(H,26,30)(H,27,28)

Composition: C (63.93%), H (5.14%), Cl (7.86%), N (12.43%), O (10.64%)

Molar Mass: 450.92

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 450.1458683
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey UBHJFPVTEATUFS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 137.76
Topological Polar Surface Area 79.48
Polarizability 49.24
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 496794-70-8 $87.14-$1,677.09$87.14$157.47$272.13$630.63$1,142.78$1,677.09
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