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10-(1H-indol-3-yl)-14,14-dimethyl-9-(3-methylbutanoyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-(1H-indol-3-yl)-14,14-dimethyl-9-(3-methylbutanoyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C28H31N3O2

SMILES: CC(C)CC(=O)N1C(C2=CNC3=CC=CC=C23)C2=C(CC(C)(C)CC2=O)NC2=CC=CC=C12

IUPAC: 10-(1H-indol-3-yl)-14,14-dimethyl-9-(3-methylbutanoyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C28H31N3O2/c1-17(2)13-25(33)31-23-12-8-7-11-21(23)30-22-14-28(3,4)15-24(32)26(22)27(31)19-16-29-20-10-6-5-9-18(19)20/h5-12,16-17,27,29-30H,13-15H2,1-4H3

Composition: C (76.16%), H (7.08%), N (9.52%), O (7.25%)

Molar Mass: 441.575

Atom Count: 64

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 441.24162725
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XTDJTDQSFSJBQM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 133.4
Topological Polar Surface Area 65.2
Polarizability 51.65
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H31N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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