Chemical ID: 7028987

c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl
Chemical ID:
7028987
Name [?]:
N-[5-[(4-chlorophenyl)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(cc4)Cl
InChi [?]:
InChI=1/C22H14ClF3N2O2S/c23-16-6-4-13(5-7-16)10-17-12-27-21(31-17)28-20(29)19-9-8-18(30-19)14-2-1-3-15(11-14)22(24,25)26/h1-9,11-12H,10H2,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,30,27,29,12,13,24,4,21,25,3,5,28,22,11,14,16,19,7,31,8,9,10,20,18,17,15,23/E:(4,5)(6,7)(24,25,26)/rA:31nCCCCCCCFFFCCCCOCONCNCCSCCCCCCCCl/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14ClF3N2O2S
All Atoms:45
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9133
Area:675.557
Solvation:-3.97566
Coulombic:-56.6844
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:462.873
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.14
LogP (Chemaxon):5.84

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Descriptor Annotations

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