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

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

Formula: C21H24N2OS

SMILES: CCC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C(C)=CC1=CC=CC=C1

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

InChI: InChI=1/C21H24N2OS/c1-3-14-9-10-16-17(12-14)25-21-18(16)20(24)22-19(23-21)13(2)11-15-7-5-4-6-8-15/h4-8,11,14,19,23H,3,9-10,12H2,1-2H3,(H,22,24)/b13-11+

Composition: C (71.56%), H (6.86%), N (7.95%), O (4.54%), S (9.10%)

Molar Mass: 352.5

Atom Count: 49

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 352.160934575
Formal Charge 0
FSP3 0.38
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FNLHBVZAPGMZFA-ACCUITESNA-N
Lipinski's Rule of Five
Molar Refractivity 105.04
Topological Polar Surface Area 41.13
Polarizability 39.1
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H24N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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