Chemical ID: 6595041

CC(C)CCC(C)n1c(csc1=Nc2ccc(cc2)OC)c3ccc(cc3)F
Chemical ID:
6595041
Name [?]:
3-(1,4-dimethylpentyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-thiazol-2-imine
SMILES [?]:
CC(C)CCC(C)n1c(csc1=Nc2ccc(cc2)OC)c3ccc(cc3)F
InChi [?]:
InChI=1/C23H27FN2OS/c1-16(2)5-6-17(3)26-22(18-7-9-19(24)10-8-18)15-28-23(26)25-20-11-13-21(27-4)14-12-20/h7-17H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,7,21,4,5,23,27,24,26,15,19,16,18,10,2,6,22,25,14,17,9,12,28,13,8,20,11/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:28cCCCCCCCNCCSCNCCCCCCOCCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s6;s8;d9;s10;s8s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s9;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27FN2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.3957
Area:566.03
Solvation:-3.75509
Coulombic:-26.6266
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:398.538
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.72
LogP (Chemaxon):7.36

Name Annotations

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Descriptor Annotations

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