Chemical ID: 4818361

CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
Chemical ID:
4818361
Name [?]:
2-(4-chlorophenyl)amino-5-[(4-ethoxy-3-methoxy-phenyl)methylene]thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-3-25-15-9-4-12(10-16(15)24-2)11-17-18(23)22-19(26-17)21-14-7-5-13(20)6-8-14/h4-11H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,22,24,21,25,5,8,12,7,23,20,4,9,13,14,17,26,19,16,15,10,3,18/E:(5,6)(7,8)/rA:26nCCOCCCCCCOCCCCONCSNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;d16;s13s17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.7632
Area:601.602
Solvation:-5.27684
Coulombic:-43.7996
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:388.869
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.96
LogP (Chemaxon):4.56

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