Chemical ID: 4858401

COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3cccc(c3Cl)Cl
Chemical ID:
4858401
Name [?]:
2-(2,3-dichlorophenyl)amino-5-[(2,3-dimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-13-8-3-5-10(16(13)25-2)9-14-17(23)22-18(26-14)21-12-7-4-6-11(19)15(12)20/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,5,21,6,22,20,4,11,7,23,19,3,12,24,8,13,16,26,25,18,15,14,2,9,17/rA:26nCOCCCCCCOCCCCONCSNCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.562
Area:591.886
Solvation:-4.23512
Coulombic:-45.6732
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:409.287
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.16
LogP (Chemaxon):4.73

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