Text Search
Structure Search

N'-[(E)-[3-methoxy-4-(4-propylphenoxymethyl)phenyl]methylidene]-5-{[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl}furan-2-carbohydrazide

N'-[(E)-[3-methoxy-4-(4-propylphenoxymethyl)phenyl]methylidene]-5-{[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl}furan-2-carbohydrazide

Formula: C29H29F3N4O4

SMILES: CCCC1=CC=C(OCC2=CC=C(C=NNC(=O)C3=CC=C(CN4N=C(C=C4C)C(F)(F)F)O3)C=C2OC)C=C1

IUPAC: N'-[(E)-{3-methoxy-4-[(4-propylphenoxy)methyl]phenyl}methylidene]-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}furan-2-carbohydrazide

InChI: InChI=1S/C29H29F3N4O4/c1-4-5-20-7-10-23(11-8-20)39-18-22-9-6-21(15-26(22)38-3)16-33-34-28(37)25-13-12-24(40-25)17-36-19(2)14-27(35-36)29(30,31)32/h6-16H,4-5,17-18H2,1-3H3,(H,34,37)/b33-16+

Composition: C (62.81%), H (5.27%), F (10.28%), N (10.10%), O (11.54%)

Molar Mass: 554.57

Atom Count: 69

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 554.214089919
Formal Charge 0
FSP3 0.28
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey DZUWVATZIMBDHY-MHDJOFBISA-N
Lipinski's Rule of Five
Molar Refractivity 156.55
Topological Polar Surface Area 90.88
Polarizability 53.26
Ring Count 4
Rotatable Bond Count 12

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H29F3N4O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote