Text Search
Structure Search

9-acetyl-14-(4-methoxyphenyl)-10-(4-methylphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

9-acetyl-14-(4-methoxyphenyl)-10-(4-methylphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C29H28N2O3

SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1N(C2C1=CC=C(C)C=C1)C(C)=O

IUPAC: 9-acetyl-14-(4-methoxyphenyl)-10-(4-methylphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C29H28N2O3/c1-18-8-10-21(11-9-18)29-28-25(30-24-6-4-5-7-26(24)31(29)19(2)32)16-22(17-27(28)33)20-12-14-23(34-3)15-13-20/h4-15,22,29-30H,16-17H2,1-3H3

Composition: C (76.97%), H (6.24%), N (6.19%), O (10.61%)

Molar Mass: 452.554

Atom Count: 62

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 452.20999277
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DOOHCHITPZTKBT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 135.66
Topological Polar Surface Area 58.64
Polarizability 51.08
Ring Count 5
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H28N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote