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3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-[(2E)-3-phenylprop-2-enoyl]thiourea

3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-[(2E)-3-phenylprop-2-enoyl]thiourea

Formula: C22H21N5O3S2

SMILES: CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C=CC3=CC=CC=C3)C=C2)=N1

IUPAC: 3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-[(2E)-3-phenylprop-2-enoyl]thiourea

InChI: InChI=1S/C22H21N5O3S2/c1-15-14-16(2)24-21(23-15)27-32(29,30)19-11-9-18(10-12-19)25-22(31)26-20(28)13-8-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24,27)(H2,25,26,28,31)/b13-8+

Composition: C (56.51%), H (4.53%), N (14.98%), O (10.27%), S (13.71%)

Molar Mass: 467.56

Atom Count: 53

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 467.108581904
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey RHVKHHCAIWKHNM-MDWZMJQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 130.2
Topological Polar Surface Area 113.08
Polarizability 49.43
Ring Count 3
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H21N5O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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