Chemical ID: 5301705

COc1ccccc1C=C2C(=O)N=C(S2)Nc3cc(cc(c3)Cl)Cl
Chemical ID:
5301705
Name [?]:
2-(3,5-dichlorophenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)N=C(S2)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O2S/c1-23-14-5-3-2-4-10(14)6-15-16(22)21-17(24-15)20-13-8-11(18)7-12(19)9-13/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,20,18,22,8,19,21,17,3,10,11,14,24,23,16,13,12,2,15/E:(8,9)(11,12)(18,19)/rA:24nCOCCCCCCCCCONCSNCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2989
Area:566.656
Solvation:-2.86754
Coulombic:-37.8098
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:379.261
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):4.99

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