Chemical ID: 7028992

c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl
Chemical ID:
7028992
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-5-[3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C22H13Cl2F3N2O2S/c23-16-5-4-12(9-17(16)24)8-15-11-28-21(32-15)29-20(30)19-7-6-18(31-19)13-2-1-3-14(10-13)22(25,26)27/h1-7,9-11H,8H2,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,27,12,13,24,30,4,21,25,3,5,22,28,29,11,14,16,19,7,32,31,8,9,10,20,18,17,15,23/E:(25,26,27)/rA:32nCCCCCCCFFFCCCCOCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s12;d13;s11s14;s14;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13Cl2F3N2O2S
All Atoms:45
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.5148
Area:703.036
Solvation:-4.06106
Coulombic:-56.7481
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

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Descriptor Annotations

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