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10-(4-hydroxy-3,5-dimethoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-(4-hydroxy-3,5-dimethoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C21H22N2O4

SMILES: COC1=CC(=CC(OC)=C1O)C1NC2=CC=CC=C2NC2=C1C(=O)CCC2

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

InChI: InChI=1/C21H22N2O4/c1-26-17-10-12(11-18(27-2)21(17)25)20-19-15(8-5-9-16(19)24)22-13-6-3-4-7-14(13)23-20/h3-4,6-7,10-11,20,22-23,25H,5,8-9H2,1-2H3

Composition: C (68.84%), H (6.05%), N (7.65%), O (17.47%)

Molar Mass: 366.417

Atom Count: 49

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 366.157957196
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey HQNCECFVELIWLJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.63
Topological Polar Surface Area 79.82
Polarizability 39.11
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H22N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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