Chemical ID: 7028731

c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)F
Chemical ID:
7028731
Name [?]:
5-(2,5-dichlorophenyl)-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)F
InChi [?]:
InChI=1/C21H13Cl2FN2O2S/c22-13-3-6-17(23)16(10-13)18-7-8-19(28-18)20(27)26-21-25-11-15(29-21)9-12-1-4-14(24)5-2-12/h1-8,10-11H,9H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,5,24,2,4,25,18,17,7,22,9,6,23,3,8,21,26,19,16,14,11,28,27,29,10,13,15,20,12/E:(1,2)(4,5)/rA:29nCCCCCCCCCNCSNCOCCCCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13Cl2FN2O2S
All Atoms:42
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.262
Area:658.097
Solvation:-4.19039
Coulombic:-41.2375
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:447.31
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.0
LogP (Chemaxon):5.62

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