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5-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-2,9-dimethyl-2,4,6,9-tetraazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

5-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-2,9-dimethyl-2,4,6,9-tetraazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

CAS: 1234480-50-2

Formula: C26H30N6O3

SMILES: CCOC1=C(NC2=NC=C3N(C)C(=O)C4=C(C=CC=C4)N(C)C3=N2)C=CC(=C1)N1CCC(O)CC1

IUPAC: 5-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-2,9-dimethyl-2,4,6,9-tetraazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

InChI: InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)

Composition: C (65.80%), H (6.37%), N (17.71%), O (10.11%)

Molar Mass: 474.565

Atom Count: 65

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 474.23793885
Formal Charge 0
FSP3 0.35
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey QAPAJIZPZGWAND-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 136.81
Topological Polar Surface Area 94.06
Polarizability 50.57
Ring Count 5
Rotatable Bond Count 5

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96% <5 Days 1234480-50-2 $1,560.00$1,560.00
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