Chemical ID: 5745653

COc1ccc(c(c1)C=C2C(=NC(=Nc3ccccc3C(F)(F)F)S2)O)OC
Chemical ID:
5745653
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-[2-(trifluoromethyl)phenyl]imino-thiazol-4-ol
SMILES [?]:
COc1ccc(c(c1)C=C2C(=NC(=Nc3ccccc3C(F)(F)F)S2)O)OC
InChi [?]:
InChI=1/C19H15F3N2O3S/c1-26-12-7-8-15(27-2)11(9-12)10-16-17(25)24-18(28-16)23-14-6-4-3-5-13(14)19(20,21)22/h3-10H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,18,17,19,16,4,5,8,9,7,3,20,15,6,10,11,13,21,22,23,24,14,12,26,2,27,25/E:(20,21,22)/rA:28nCOCCCCCCCCCNCNCCCCCCCFFFSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s21;s21;s10s13;s11;s6;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15F3N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.3418
Area:576.204
Solvation:-5.06331
Coulombic:-63.4556
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:408.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):5.42

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Descriptor Annotations

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