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2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[2-(1H-indol-3-yl)ethyl]propanediamide

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[2-(1H-indol-3-yl)ethyl]propanediamide

CAS: 478258-07-0

Formula: C29H25ClF3N5O2

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)C(C(=O)NCCC1=CNC2=CC=CC=C12)C(=O)NCCC1=CNC2=CC=CC=C12

IUPAC: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[2-(1H-indol-3-yl)ethyl]propanediamide

InChI: InChI=1S/C29H25ClF3N5O2/c30-22-13-19(29(31,32)33)16-38-26(22)25(27(39)34-11-9-17-14-36-23-7-3-1-5-20(17)23)28(40)35-12-10-18-15-37-24-8-4-2-6-21(18)24/h1-8,13-16,25,36-37H,9-12H2,(H,34,39)(H,35,40)

Composition: C (61.32%), H (4.44%), Cl (6.24%), F (10.03%), N (12.33%), O (5.63%)

Molar Mass: 568

Atom Count: 65

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 567.1648873
Formal Charge 0
FSP3 0.21
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 4
InChIKey NPOOYUPVEUKGBO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 146.25
Topological Polar Surface Area 102.67
Polarizability 57.14
Ring Count 5
Rotatable Bond Count 10

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