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2-(5-{[(3,4-dichlorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide

2-(5-{[(3,4-dichlorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide

Formula: C18H15Cl2N5O2S

SMILES: CC1=CC=CC=C1NC(=O)CC1=NN=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)S1

IUPAC: 2-(5-{[(3,4-dichlorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide

InChI: InChI=1S/C18H15Cl2N5O2S/c1-10-4-2-3-5-14(10)22-15(26)9-16-24-25-18(28-16)23-17(27)21-11-6-7-12(19)13(20)8-11/h2-8H,9H2,1H3,(H,22,26)(H2,21,23,25,27)

Composition: C (49.55%), H (3.47%), Cl (16.25%), N (16.05%), O (7.33%), S (7.35%)

Molar Mass: 436.31

Atom Count: 43

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 435.0323513
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey DNGMJIVDZHDKDW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.57
Topological Polar Surface Area 96.01
Polarizability 41.16
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 C18H15Cl2N5O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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