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11-methyl-5-[(1E)-2-phenylethenyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-methyl-5-[(1E)-2-phenylethenyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C19H20N2OS

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C=CC1=CC=CC=C1

IUPAC: 11-methyl-5-[(1E)-2-phenylethenyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C19H20N2OS/c1-12-7-9-14-15(11-12)23-19-17(14)18(22)20-16(21-19)10-8-13-5-3-2-4-6-13/h2-6,8,10,12,16,21H,7,9,11H2,1H3,(H,20,22)/b10-8+

Composition: C (70.34%), H (6.21%), N (8.63%), O (4.93%), S (9.88%)

Molar Mass: 324.44

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 324.129634446
Formal Charge 0
FSP3 0.32
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey AKWJJXNUHUZOCZ-CSKARUKUNA-N
Lipinski's Rule of Five
Molar Refractivity 96.16
Topological Polar Surface Area 41.13
Polarizability 35.41
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H20N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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