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Antifungal agent 14

CAT: 0931-T40329Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T40329Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2710259-38-2
Target
Others, Antifungal
Related Pathways
Microbiology/Virology, Others
Bioactivity
Antifungal agent 14 demonstrates potent broad-spectrum antifungal activity, effectively targeting a variety of fungal strains with exceptional minimum inhibitory concentration values.
Smiles
COc1ccc(cc1)-n1cc(nn1)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O
Molecular Formula
C18H19N7O3
Molecular Weight
381.396
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antifungal agent 14
CAS Number2710259-38-2
PubChem CID163323739
IUPAC Name4-[[1-(4-methoxyphenyl)triazol-4-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
Molecular FormulaC18H19N7O3
Molecular Weight381.4
XLogP1.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity687
SMILES
CC1=C(C(=O)NN1)C(C2=CN(N=N2)C3=CC=C(C=C3)OC)C4=C(NNC4=O)C
InChI
InChI=1S/C18H19N7O3/c1-9-14(17(26)22-19-9)16(15-10(2)20-23-18(15)27)13-8-25(24-21-13)11-4-6-12(28-3)7-5-11/h4-8,16H,1-3H3,(H2,19,22,26)(H2,20,23,27)
InChIKey
NVYGSNIMGOMWQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 14
CAS: 2710259-38-2
CID: 163323739
Formula: C18H19N7O3
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass381.15493749
Monoisotopic Mass381.15493749
Topological Polar Surface Area122 Ų
Heavy Atom Count28
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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