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Chemical ID: 5940408
Chemical ID:
5940408
Name [?]:
N-[4-[2-(4-fluorophenyl)aminothiazol-4-yl]phenyl]hexanamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C21H22FN3OS/c1-2-3-4-5-20(26)23-17-10-6-15(7-11-17)19-14-27-21(25-19)24-18-12-8-16(22)9-13-18/h6-14H,2-5H2,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,11,13,23,25,10,14,22,26,16,12,24,9,21,15,6,18,27,8,20,19,7,17/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s16;s17;s15d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22FN3OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0405 |
Area: | 622.954 |
Solvation: | -3.53337 |
Coulombic: | -42.7575 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.483 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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