Chemical ID: 6356153

CCCCCCNC(=O)c1c(onc1c2ccccc2)C
Chemical ID:
6356153
Name [?]:
N-hexyl-5-methyl-3-phenyl-isoxazole-4-carboxamide
SMILES [?]:
CCCCCCNC(=O)c1c(onc1c2ccccc2)C
InChi [?]:
InChI=1/C17H22N2O2/c1-3-4-5-9-12-18-17(20)15-13(2)21-19-16(15)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,4,18,17,19,5,16,20,6,11,15,10,14,8,7,13,9,12/E:(7,8)(10,11)/rA:21nCCCCCCNCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;s12;s10d13;s14;s15;d16;s17;d18;d15s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.8774
Area:528.049
Solvation:-2.3238
Coulombic:-27.7011
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:286.369
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.65
LogP (Chemaxon):3.55

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