Chemical ID: 5940660

CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2cccc(c2)F
Chemical ID:
5940660
Name [?]:
N-butyl-2-[[butyl-(3-fluorobenzoyl)-amino]methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C20H26FN3O2S/c1-3-5-10-22-19(25)17-14-27-18(23-17)13-24(11-6-4-2)20(26)15-8-7-9-16(21)12-15/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,3,16,23,22,24,4,15,26,13,9,21,25,8,11,6,19,27,5,12,14,7,20,10/rA:27nCCCCNCOCCSCNCNCCCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26FN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5092
Area:640.962
Solvation:-3.51485
Coulombic:-51.1691
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:391.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):3.43

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue