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Chemical ID: 5445481
Chemical ID:
5445481
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-5-[4-chloro-3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(c(c4)C(F)(F)F)Cl)Cl
InChi [?]:
InChI=1/C22H13Cl2F3N2O2S/c23-16-4-2-1-3-12(16)9-14-11-28-21(32-14)29-20(30)19-8-7-18(31-19)13-5-6-17(24)15(10-13)22(25,26)27/h1-8,10-11H,9H2,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,23,18,17,7,26,9,5,21,8,25,4,24,19,16,14,11,27,32,31,28,29,30,10,13,15,20,12/E:(25,26,27)/rA:32nCCCCCCCCCNCSNCOCCCCOCCCCCCCFFFClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H13Cl2F3N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8375 |
Area: | 677.191 |
Solvation: | -4.09226 |
Coulombic: | -56.0723 |
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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