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Chemical ID: 7028995
Chemical ID:
7028995
Name [?]:
N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-5-[3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C23H16ClF3N2O2S/c1-13-5-6-14(10-18(13)24)9-17-12-28-22(32-17)29-21(30)20-8-7-19(31-20)15-3-2-4-16(11-15)23(25,26)27/h2-8,10-12H,9H2,1H3,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,3,4,20,19,9,6,28,11,2,5,23,27,10,7,21,18,16,13,29,8,30,31,32,12,15,17,22,14/E:(25,26,27)/rA:32nCCCCCCCClCCCNCSNCOCCCCOCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16ClF3N2O2S |
All Atoms: | 48 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3023 |
Area: | 688.543 |
Solvation: | -3.91131 |
Coulombic: | -56.5953 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 476.899 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.37 |
LogP (Chemaxon): | 6.31 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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