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9-acetyl-14-(4-methylphenyl)-10-(3,4,5-trimethoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

9-acetyl-14-(4-methylphenyl)-10-(3,4,5-trimethoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C31H32N2O5

SMILES: COC1=CC(=CC(OC)=C1OC)C1N(C(C)=O)C2=C(NC3=C1C(=O)CC(C3)C1=CC=C(C)C=C1)C=CC=C2

IUPAC: 9-acetyl-14-(4-methylphenyl)-10-(3,4,5-trimethoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C31H32N2O5/c1-18-10-12-20(13-11-18)21-14-24-29(26(35)15-21)30(22-16-27(36-3)31(38-5)28(17-22)37-4)33(19(2)34)25-9-7-6-8-23(25)32-24/h6-13,16-17,21,30,32H,14-15H2,1-5H3

Composition: C (72.64%), H (6.29%), N (5.47%), O (15.61%)

Molar Mass: 512.606

Atom Count: 70

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 512.231122138
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey LSTFJVVRKYUJAB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 148.58
Topological Polar Surface Area 77.1
Polarizability 56.11
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C31H32N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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