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N-[4-({[(4-tert-butylphenyl)formamido]methanethioyl}amino)phenyl]-2-methylpropanamide

N-[4-({[(4-tert-butylphenyl)formamido]methanethioyl}amino)phenyl]-2-methylpropanamide

CAS: 666211-30-9

Formula: C22H27N3O2S

SMILES: CC(C)C(=O)NC1=CC=C(NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C=C1

IUPAC: N-[4-({[(4-tert-butylphenyl)formamido]methanethioyl}amino)phenyl]-2-methylpropanamide

InChI: InChI=1S/C22H27N3O2S/c1-14(2)19(26)23-17-10-12-18(13-11-17)24-21(28)25-20(27)15-6-8-16(9-7-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H2,24,25,27,28)

Composition: C (66.47%), H (6.85%), N (10.57%), O (8.05%), S (8.06%)

Molar Mass: 397.54

Atom Count: 55

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 397.182398295
Formal Charge 0
FSP3 0.32
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey BRWAJDBGZFTAQH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 120.56
Topological Polar Surface Area 70.23
Polarizability 45.02
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <10 Days 666211-30-9 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 666211-30-9 $68.80-$412.78$68.80$275.18$412.78
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