Chemical ID: 5723590

Cc1cccc(c1C)N=C2N=C(C(=Cc3ccc(c(c3)OC)O)S2)O
Chemical ID:
5723590
Name [?]:
2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
Cc1cccc(c1C)N=C2N=C(C(=Cc3ccc(c(c3)OC)O)S2)O
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-5-4-6-14(12(11)2)20-19-21-18(23)17(25-19)10-13-7-8-15(22)16(9-13)24-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,22,4,3,5,16,17,20,14,2,7,15,6,18,19,13,12,10,9,11,23,25,21,24/rA:25nCCCCCCCCNCNCCCCCCCCCOCOSO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s10s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.70959
Area:558.961
Solvation:-4.26443
Coulombic:-54.3067
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):5.44

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