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

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

Formula: C28H26Cl2N2O

SMILES: CC1(C)CC(=O)C2=C(C1)NC1=C(C=CC=C1)N(CC1=CC=CC=C1)C2C1=CC=C(Cl)C(Cl)=C1

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

InChI: InChI=1/C28H26Cl2N2O/c1-28(2)15-23-26(25(33)16-28)27(19-12-13-20(29)21(30)14-19)32(17-18-8-4-3-5-9-18)24-11-7-6-10-22(24)31-23/h3-14,27,31H,15-17H2,1-2H3

Composition: C (70.44%), H (5.49%), Cl (14.85%), N (5.87%), O (3.35%)

Molar Mass: 477.43

Atom Count: 59

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 476.1422189
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RPMUOYJYXZYPJN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 139.21
Topological Polar Surface Area 32.34
Polarizability 52.33
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H26Cl2N2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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