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Chemical ID: 5665070
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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