Chemical ID: 4314716

Cc1ccc(cc1)C2=NC(=O)C(=Cc3cc(cc(c3O)OC)Cl)S2
Chemical ID:
4314716
Name [?]:
5-[(5-chloro-2-hydroxy-3-methoxy-phenyl)methylene]-2-(p-tolyl)thiazol-4-one
SMILES [?]:
Cc1ccc(cc1)C2=NC(=O)C(=Cc3cc(cc(c3O)OC)Cl)S2
InChi [?]:
InChI=1/C18H14ClNO3S/c1-10-3-5-11(6-4-10)18-20-17(22)15(24-18)8-12-7-13(19)9-14(23-2)16(12)21/h3-9,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,3,7,4,6,15,13,17,2,5,14,16,18,12,19,10,8,23,9,20,11,21,24/E:(3,4)(5,6)/rA:24nCCCCCCCCNCOCCCCCCCCOOCClS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s18;s21;s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0634
Area:556.76
Solvation:-3.85558
Coulombic:-42.0205
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:359.827
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.25

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