Chemical ID: 4851229

Cc1ccccc1NC2=NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
Chemical ID:
4851229
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(o-tolylamino)thiazol-4-one
SMILES [?]:
Cc1ccccc1NC2=NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C18H16N2O3S/c1-11-5-3-4-6-13(11)19-18-20-17(22)16(24-18)10-12-7-8-14(21)15(9-12)23-2/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,4,5,3,6,16,17,20,14,2,15,7,18,19,13,11,9,8,10,23,12,21,24/rA:24nCCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.80776
Area:534.057
Solvation:-4.54366
Coulombic:-52.5973
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.09
LogP (Chemaxon):4.13

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