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1-(4-bromobenzoyl)-3-[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea

1-(4-bromobenzoyl)-3-[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea

Formula: C21H23BrN4O2S

SMILES: CCC(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=CC=C(Br)C=C2)C=C1

IUPAC: 1-(4-bromobenzoyl)-3-[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea

InChI: InChI=1S/C21H23BrN4O2S/c1-2-19(27)26-13-11-25(12-14-26)18-9-7-17(8-10-18)23-21(29)24-20(28)15-3-5-16(22)6-4-15/h3-10H,2,11-14H2,1H3,(H2,23,24,28,29)

Composition: C (53.06%), H (4.88%), Br (16.81%), N (11.79%), O (6.73%), S (6.74%)

Molar Mass: 475.41

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 474.07251
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OZMGSGUPHSXVQJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.82
Topological Polar Surface Area 64.68
Polarizability 46.4
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H23BrN4O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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