Chemical ID: 5853810

CCCc1c(nc(s1)NC(=O)c2cccc(c2)OC)c3ccc(cc3)F
Chemical ID:
5853810
Name [?]:
N-[4-(4-fluorophenyl)-5-propyl-thiazol-2-yl]-3-methoxy-benzamide
SMILES [?]:
CCCc1c(nc(s1)NC(=O)c2cccc(c2)OC)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H19FN2O2S/c1-3-5-17-18(13-8-10-15(21)11-9-13)22-20(26-17)23-19(24)14-6-4-7-16(12-14)25-2/h4,6-12H,3,5H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,19,2,14,3,13,15,21,25,22,24,17,20,12,23,16,4,5,10,7,26,6,9,11,18,8/E:(8,9)(10,11)/rA:26nCCCCCNCSNCOCCCCCCOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s5;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19FN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.83335
Area:583.526
Solvation:-4.7548
Coulombic:-39.2389
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:370.442
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):5.19

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