Text Search
Structure Search

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

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

Formula: C31H30Cl2N2O2

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

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

InChI: InChI=1/C31H30Cl2N2O2/c1-18(2)14-29(37)35-27-7-5-4-6-25(27)34-26-16-22(21-12-13-23(32)24(33)15-21)17-28(36)30(26)31(35)20-10-8-19(3)9-11-20/h4-13,15,18,22,31,34H,14,16-17H2,1-3H3

Composition: C (69.79%), H (5.67%), Cl (13.29%), N (5.25%), O (6.00%)

Molar Mass: 533.49

Atom Count: 67

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 532.1684336
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JXLGKJXTDIULAS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 152.58
Topological Polar Surface Area 49.41
Polarizability 57.84
Ring Count 5
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C31H30Cl2N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote