Chemical ID: 6220078

CCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3I
Chemical ID:
6220078
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-iodo-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3I
InChi [?]:
InChI=1/C18H15IN2O2S/c1-2-23-13-9-7-12(8-10-13)16-11-24-18(20-16)21-17(22)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,22,6,8,5,9,11,7,4,18,23,10,16,13,24,14,15,17,3,12/E:(7,8)(9,10)/rA:24nCCOCCCCCCCCSCNNCOCCCCCCI/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15IN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7342
Area:572.675
Solvation:-3.58268
Coulombic:-35.8579
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:450.294
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.23
LogP (Chemaxon):5.53

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