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methyl 10-(3-hydroxy-4-methoxyphenyl)-14-methyl-12-oxo-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraene-13-carboxylate

methyl 10-(3-hydroxy-4-methoxyphenyl)-14-methyl-12-oxo-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraene-13-carboxylate

Formula: C23H24N2O5

SMILES: COC(=O)C1C(C)CC2=C(C(NC3=C(N2)C=CC=C3)C2=CC=C(OC)C(O)=C2)C1=O

IUPAC: methyl 10-(3-hydroxy-4-methoxyphenyl)-14-methyl-12-oxo-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraene-13-carboxylate

InChI: InChI=1/C23H24N2O5/c1-12-10-16-20(22(27)19(12)23(28)30-3)21(13-8-9-18(29-2)17(26)11-13)25-15-7-5-4-6-14(15)24-16/h4-9,11-12,19,21,24-26H,10H2,1-3H3

Composition: C (67.63%), H (5.92%), N (6.86%), O (19.58%)

Molar Mass: 408.454

Atom Count: 54

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 408.168521881
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey OGRLJLSYBVESHM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.78
Topological Polar Surface Area 96.89
Polarizability 42.89
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H24N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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