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1-(2-methoxyphenyl)-3-[5-(3-propoxyphenyl)-1,3,4-thiadiazol-2-yl]urea

1-(2-methoxyphenyl)-3-[5-(3-propoxyphenyl)-1,3,4-thiadiazol-2-yl]urea

Formula: C19H20N4O3S

SMILES: CCCOC1=CC=CC(=C1)C1=NN=C(NC(=O)NC2=CC=CC=C2OC)S1

IUPAC: 1-(2-methoxyphenyl)-3-[5-(3-propoxyphenyl)-1,3,4-thiadiazol-2-yl]urea

InChI: InChI=1S/C19H20N4O3S/c1-3-11-26-14-8-6-7-13(12-14)17-22-23-19(27-17)21-18(24)20-15-9-4-5-10-16(15)25-2/h4-10,12H,3,11H2,1-2H3,(H2,20,21,23,24)

Composition: C (59.36%), H (5.24%), N (14.57%), O (12.48%), S (8.34%)

Molar Mass: 384.45

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 384.125611694
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey DBCUOYMFTQXWJU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.16
Topological Polar Surface Area 85.37
Polarizability 40.03
Ring Count 3
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H20N4O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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