Chemical ID: 7005228

c1ccc(c(c1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl)I
Chemical ID:
7005228
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-2-iodo-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl)I
InChi [?]:
InChI=1/C17H12ClIN2OS/c18-12-7-5-11(6-8-12)9-13-10-20-17(23-13)21-16(22)14-3-1-2-4-15(14)19/h1-8,10H,9H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,21,18,20,15,12,16,19,13,5,4,7,10,22,23,11,9,8,14/E:(5,6)(7,8)/rA:23nCCCCCCCONCNCCSCCCCCCCClI/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;d17;s18;d19;d16s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClIN2OS
All Atoms:35
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.309
Area:572.495
Solvation:-3.00336
Coulombic:-28.497
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:454.713
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.64
LogP (Chemaxon):5.55

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