Chemical ID: 4702230

COc1ccc(cc1)Cc2nc(cs2)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
4702230
Name [?]:
2-[(4-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-thiazole-4-carboxamide
SMILES [?]:
COc1ccc(cc1)Cc2nc(cs2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C19H15F3N2O2S/c1-26-15-7-5-12(6-8-15)9-17-24-16(11-27-17)18(25)23-14-4-2-3-13(10-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,5,7,4,8,9,23,13,6,22,18,3,12,10,15,24,25,26,27,17,11,16,2,14/E:(5,6)(7,8)(20,21,22)/rA:27nCOCCCCCCCCNCCSCONCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15F3N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5917
Area:583.147
Solvation:-3.98698
Coulombic:-54.814
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.396
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):4.61

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Descriptor Annotations

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