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3-benzoyl-1-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea

3-benzoyl-1-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea

Formula: C22H17N3O2S

SMILES: CC1=CC=C2OC(=NC2=C1)C1=CC(NC(=S)NC(=O)C2=CC=CC=C2)=CC=C1

IUPAC: 3-benzoyl-1-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea

InChI: InChI=1S/C22H17N3O2S/c1-14-10-11-19-18(12-14)24-21(27-19)16-8-5-9-17(13-16)23-22(28)25-20(26)15-6-3-2-4-7-15/h2-13H,1H3,(H2,23,25,26,28)

Composition: C (68.20%), H (4.42%), N (10.85%), O (8.26%), S (8.27%)

Molar Mass: 387.46

Atom Count: 45

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 387.104147973
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey YVKHRGWVBURJQE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 124.63
Topological Polar Surface Area 67.16
Polarizability 44.75
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H17N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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