Chemical ID: 5455754

c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl)C(F)(F)F
Chemical ID:
5455754
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C22H13Cl2F3N2O2S/c23-16-6-5-12(10-17(16)24)9-13-11-28-21(32-13)29-20(30)19-8-7-18(31-19)14-3-1-2-4-15(14)22(25,26)27/h1-8,10-11H,9H2,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,23,8,9,20,26,17,21,18,5,4,24,25,7,10,12,15,29,28,27,30,31,32,16,14,13,11,19/E:(25,26,27)/rA:32nCCCCCCCCCCOCONCNCCSCCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s25;s24;s4;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13Cl2F3N2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.9276
Area:682.197
Solvation:-4.12732
Coulombic:-56.4386
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:497.318
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.77
LogP (Chemaxon):6.36

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