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11-benzyl-5-[4-(dimethylamino)phenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-benzyl-5-[4-(dimethylamino)phenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C24H26N4OS

SMILES: CN(C)C1=CC=C(C=C1)C1NC2=C(C3=C(CN(CC4=CC=CC=C4)CC3)S2)C(=O)N1

IUPAC: 11-benzyl-5-[4-(dimethylamino)phenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C24H26N4OS/c1-27(2)18-10-8-17(9-11-18)22-25-23(29)21-19-12-13-28(14-16-6-4-3-5-7-16)15-20(19)30-24(21)26-22/h3-11,22,26H,12-15H2,1-2H3,(H,25,29)

Composition: C (68.87%), H (6.26%), N (13.39%), O (3.82%), S (7.66%)

Molar Mass: 418.56

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 418.182732647
Formal Charge 0
FSP3 0.29
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZQYOXKIJZZAKLY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.55
Topological Polar Surface Area 47.61
Polarizability 46.15
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H26N4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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