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4-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-13-(trifluoromethyl)-3,5,10-triazatricyclo[9.4.0.0²,?]pentadeca-1(11),2,4,6,12,14-hexaene-9-thione

4-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-13-(trifluoromethyl)-3,5,10-triazatricyclo[9.4.0.0²,?]pentadeca-1(11),2,4,6,12,14-hexaene-9-thione

CAS: 1228960-69-7

Formula: C24H25F3N6S

SMILES: CN(C)CCCC1=CC(NC2=NC=C3CC(=S)NC4=C(C=CC(=C4)C(F)(F)F)C3=N2)=C(C)N=C1

IUPAC: 4-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-13-(trifluoromethyl)-3,5,10-triazatricyclo[9.4.0.0²,?]pentadeca-1(11),2,4,6,12,14-hexaene-9-thione

InChI: InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)

Composition: C (59.25%), H (5.18%), F (11.71%), N (17.27%), S (6.59%)

Molar Mass: 486.56

Atom Count: 59

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 486.181350492
Formal Charge 0
FSP3 0.33
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CODBZFJPKJDNDT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 133.74
Topological Polar Surface Area 65.97
Polarizability 50.17
Ring Count 4
Rotatable Bond Count 7

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 1228960-69-7 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1228960-69-7 $89.43-$658.15$89.43$116.95$200.27$385.26$658.15
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