Chemical ID: 5748172

COc1ccc(c(c1)OC)C=C2C(=NC(=Nc3ccc(cc3)O)S2)O
Chemical ID:
5748172
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazol-4-ol
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=NC(=Nc3ccc(cc3)O)S2)O
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-8-3-11(15(10-14)24-2)9-16-17(22)20-18(25-16)19-12-4-6-13(21)7-5-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,18,22,19,21,4,11,8,6,17,20,3,7,12,13,15,16,14,23,25,2,9,24/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCCCNCNCCCCCCOSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s12s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.07804
Area:556.268
Solvation:-4.82867
Coulombic:-60.7242
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.82
LogP (Chemaxon):4.25

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