Chemical ID: 7028995

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)C(F)(F)F
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

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