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Chemical ID: 7028599
Chemical ID:
7028599
Name [?]:
5-(2,4-dichlorophenyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C22H13Cl2F3N2O2S/c23-14-4-5-16(17(24)10-14)18-6-7-19(31-18)20(30)29-21-28-11-15(32-21)9-12-2-1-3-13(8-12)22(25,26)27/h1-8,10-11H,9H2,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,27,26,22,21,4,11,29,13,3,5,28,12,25,30,23,20,18,15,7,32,31,8,9,10,14,17,19,24,16/E:(25,26,27)/rA:32nCCCCCCCFFFCCCNCSNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;d12;s13;d14;s12s15;s15;s17;d18;s18;d20;s21;d22;s20s23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H13Cl2F3N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3441 |
Area: | 697.173 |
Solvation: | -4.08519 |
Coulombic: | -56.45 |
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
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Experimental Annotations
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Descriptor Annotations
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