Chemical ID: 6267007

Cc1c(nc(s1)NC(=O)c2ccc(cc2)Cl)c3ccc(cc3)OC
Chemical ID:
6267007
Name [?]:
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-11-16(12-5-9-15(23-2)10-6-12)20-18(24-11)21-17(22)13-3-7-14(19)8-4-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,11,15,18,22,12,14,19,21,2,17,10,13,20,3,8,5,16,4,7,9,23,6/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCNCSNCOCCCCCCClCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6298
Area:567.889
Solvation:-3.56739
Coulombic:-36.3282
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):4.71

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