Chemical ID: 6350726

CCCCCCCCCNC(=O)c1c(onc1c2ccccc2)C
Chemical ID:
6350726
Name [?]:
5-methyl-N-nonyl-3-phenyl-isoxazole-4-carboxamide
SMILES [?]:
CCCCCCCCCNC(=O)c1c(onc1c2ccccc2)C
InChi [?]:
InChI=1/C20H28N2O2/c1-3-4-5-6-7-8-12-15-21-20(23)18-16(2)24-22-19(18)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,4,5,6,7,21,20,22,8,19,23,9,14,18,13,17,11,10,16,12,15/E:(10,11)(13,14)/rA:24nCCCCCCCCCNCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s13d16;s17;s18;d19;s20;d21;d18s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.8951
Area:610.396
Solvation:-2.36481
Coulombic:-28.6117
Bond Count [?]
All:25
Single:19
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:328.449
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.36
LogP (Chemaxon):4.74

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