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N-[(2,6-difluorophenyl)methyl]-3-({[4-propyl-5-(pyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl}amino)benzamide

N-[(2,6-difluorophenyl)methyl]-3-({[4-propyl-5-(pyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl}amino)benzamide

CAS: 865609-72-9

Formula: C24H23F2N7O

SMILES: CCCN1C(CNC2=CC(=CC=C2)C(=O)NCC2=C(F)C=CC=C2F)=NN=C1C1=NC=NC=C1

IUPAC: N-[(2,6-difluorophenyl)methyl]-3-({[4-propyl-5-(pyrimidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide

InChI: InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)

Composition: C (62.19%), H (5.00%), F (8.20%), N (21.15%), O (3.45%)

Molar Mass: 463.493

Atom Count: 57

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 463.193214715
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey VWBSMGFTNCQOMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 137.95
Topological Polar Surface Area 97.62
Polarizability 46.4
Ring Count 4
Rotatable Bond Count 9

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