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1-(4-tert-butylbenzoyl)-3-[2-(morpholin-4-yl)phenyl]thiourea

1-(4-tert-butylbenzoyl)-3-[2-(morpholin-4-yl)phenyl]thiourea

Formula: C22H27N3O2S

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=CC=C1N1CCOCC1

IUPAC: 1-(4-tert-butylbenzoyl)-3-[2-(morpholin-4-yl)phenyl]thiourea

InChI: InChI=1S/C22H27N3O2S/c1-22(2,3)17-10-8-16(9-11-17)20(26)24-21(28)23-18-6-4-5-7-19(18)25-12-14-27-15-13-25/h4-11H,12-15H2,1-3H3,(H2,23,24,26,28)

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 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YYSNJUIMBBECMW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 119.99
Topological Polar Surface Area 53.6
Polarizability 44.93
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H27N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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