Chemical ID: 4204548

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccccc3I
Chemical ID:
4204548
Name [?]:
2-iodo-N-[5-(p-tolylmethyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccccc3I
InChi [?]:
InChI=1/C18H15IN2OS/c1-12-6-8-13(9-7-12)10-14-11-20-18(23-14)21-17(22)15-4-2-3-5-16(15)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,3,7,4,6,8,10,2,5,9,17,22,15,12,23,11,14,16,13/E:(6,7)(8,9)/rA:23nCCCCCCCCCCNCSNCOCCCCCCI/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15IN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9175
Area:556.392
Solvation:-2.99227
Coulombic:-28.126
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:434.295
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):5.5

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue