Chemical ID: 4418972

CCOc1ccccc1C=C2C(=O)N=C(S2)Nc3cccc(c3C)Cl
Chemical ID:
4418972
Name [?]:
2-(3-chloro-2-methyl-phenyl)amino-5-[(2-ethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)N=C(S2)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-3-24-16-10-5-4-7-13(16)11-17-18(23)22-19(25-17)21-15-9-6-8-14(20)12(15)2/h4-11H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,7,6,20,8,21,19,5,10,23,9,22,18,4,11,12,15,25,17,14,13,3,16/rA:25nCCOCCCCCCCCCONCSNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.7663
Area:577.508
Solvation:-2.6714
Coulombic:-38.4179
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:372.869
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.54
LogP (Chemaxon):5.28

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