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10-(4-tert-butylphenyl)-14,14-dimethyl-9-(2-methylpropanoyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

10-(4-tert-butylphenyl)-14,14-dimethyl-9-(2-methylpropanoyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C29H36N2O2

SMILES: CC(C)C(=O)N1C(C2=CC=C(C=C2)C(C)(C)C)C2=C(CC(C)(C)CC2=O)NC2=C1C=CC=C2

IUPAC: 10-(4-tert-butylphenyl)-14,14-dimethyl-9-(2-methylpropanoyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C29H36N2O2/c1-18(2)27(33)31-23-11-9-8-10-21(23)30-22-16-29(6,7)17-24(32)25(22)26(31)19-12-14-20(15-13-19)28(3,4)5/h8-15,18,26,30H,16-17H2,1-7H3

Composition: C (78.34%), H (8.16%), N (6.30%), O (7.20%)

Molar Mass: 444.619

Atom Count: 69

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 444.277678407
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VFTKHMOCXQDQJR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 136.4
Topological Polar Surface Area 49.41
Polarizability 51.88
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H36N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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