Chemical ID: 5437939

CCCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
Chemical ID:
5437939
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C23H25FN2O2S/c1-2-3-4-7-14-28-19-12-10-17(11-13-19)22(27)26-23-25-16-20(29-23)15-18-8-5-6-9-21(18)24/h5-6,8-13,16H,2-4,7,14-15H2,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,25,26,5,24,27,10,12,9,13,6,22,19,11,23,8,20,28,14,17,29,18,16,15,7,21/E:(10,11)(12,13)/rA:29nCCCCCCOCCCCCCCONCNCCSCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.122
Area:680.148
Solvation:-4.88167
Coulombic:-40.002
Bond Count [?]
All:31
Single:22
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.521
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.51
LogP (Chemaxon):5.93

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