Chemical ID: 6215749

CCCCOc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
6215749
Name [?]:
4-butoxy-N-[4-(4-chlorophenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-2-3-12-25-17-10-6-15(7-11-17)19(24)23-20-22-18(13-26-20)14-4-8-16(21)9-5-14/h4-11,13H,2-3,12H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,25,8,10,22,24,7,11,4,18,20,9,23,6,17,12,15,26,16,14,13,5,19/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCOCCCCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.358
Area:632.854
Solvation:-3.46334
Coulombic:-37.272
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.896
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.72
LogP (Chemaxon):5.92

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