Chemical ID: 5665070

Cc1cccc(c1)N=C2N=C(C(=Cc3ccc(c(c3)OC)O)S2)O
Chemical ID:
5665070
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(m-tolylimino)thiazol-4-ol
SMILES [?]:
Cc1cccc(c1)N=C2N=C(C(=Cc3ccc(c(c3)OC)O)S2)O
InChi [?]:
InChI=1/C18H16N2O3S/c1-11-4-3-5-13(8-11)19-18-20-17(22)16(24-18)10-12-6-7-14(21)15(9-12)23-2/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,4,3,5,15,16,7,19,13,2,14,6,17,18,12,11,9,8,10,22,24,20,23/rA:24nCCCCCCCNCNCCCCCCCCCOCOSO/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s9s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.29516
Area:541.476
Solvation:-4.24175
Coulombic:-54.3693
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.34
LogP (Chemaxon):4.97

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