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

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

Formula: C27H32N2O2

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

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

InChI: InChI=1/C27H32N2O2/c1-17(30)29-22-10-8-7-9-20(22)28-21-15-27(5,6)16-23(31)24(21)25(29)18-11-13-19(14-12-18)26(2,3)4/h7-14,25,28H,15-16H2,1-6H3

Composition: C (77.85%), H (7.74%), N (6.73%), O (7.68%)

Molar Mass: 416.565

Atom Count: 63

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 416.246378278
Formal Charge 0
FSP3 0.41
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FDSKRIDRRFPXBU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 127.2
Topological Polar Surface Area 49.41
Polarizability 48.19
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H32N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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