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Chemical ID: 6220078
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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