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N-[5-({[(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

N-[5-({[(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

Formula: C23H22N6O2S4

SMILES: CC1=CC=CC(CSC2=NN=C(NC(=O)CSC3=NN=C(NC(=O)CCC4=CC=CC=C4)S3)S2)=C1

IUPAC: N-[5-({[(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

InChI: InChI=1S/C23H22N6O2S4/c1-15-6-5-9-17(12-15)13-32-22-28-27-21(35-22)25-19(31)14-33-23-29-26-20(34-23)24-18(30)11-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,24,26,30)(H,25,27,31)

Composition: C (50.90%), H (4.09%), N (15.49%), O (5.90%), S (23.63%)

Molar Mass: 542.71

Atom Count: 57

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 542.068708668
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey MYZOOAAPVACQCJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 148.53
Topological Polar Surface Area 109.76
Polarizability 54.4
Ring Count 4
Rotatable Bond Count 11

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H22N6O2S4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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