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3-(3-bromo-4-ethoxybenzoyl)-1-[2-(morpholin-4-yl)phenyl]thiourea

3-(3-bromo-4-ethoxybenzoyl)-1-[2-(morpholin-4-yl)phenyl]thiourea

Formula: C20H22BrN3O3S

SMILES: CCOC1=CC=C(C=C1Br)C(=O)NC(=S)NC1=CC=CC=C1N1CCOCC1

IUPAC: 3-(3-bromo-4-ethoxybenzoyl)-1-[2-(morpholin-4-yl)phenyl]thiourea

InChI: InChI=1S/C20H22BrN3O3S/c1-2-27-18-8-7-14(13-15(18)21)19(25)23-20(28)22-16-5-3-4-6-17(16)24-9-11-26-12-10-24/h3-8,13H,2,9-12H2,1H3,(H2,22,23,25,28)

Composition: C (51.73%), H (4.78%), Br (17.21%), N (9.05%), O (10.34%), S (6.90%)

Molar Mass: 464.38

Atom Count: 50

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 463.056526
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WJHPWTQDDYYWHO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.16
Topological Polar Surface Area 62.83
Polarizability 44.75
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H22BrN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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