Chemical ID: 6851683

CCCCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OCC
Chemical ID:
6851683
Name [?]:
N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-ethoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OCC
InChi [?]:
InChI=1/C22H24N2O3S/c1-3-5-14-27-17-12-10-16(11-13-17)19-15-28-22(23-19)24-21(25)18-8-6-7-9-20(18)26-4-2/h6-13,15H,3-5,14H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,27,3,22,23,21,24,8,10,7,11,4,13,9,6,20,12,25,18,15,16,17,19,26,5,14/E:(10,11)(12,13)/rA:28nCCCCOCCCCCCCCSCNNCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3S
All Atoms:52
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9062
Area:654.954
Solvation:-5.46763
Coulombic:-42.7903
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.43
LogP (Chemaxon):5.49

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