Chemical ID: 4416089

Cc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
Chemical ID:
4416089
Name [?]:
2-(4-chlorophenyl)amino-5-[(3-methoxy-4-methyl-phenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-11-3-4-12(9-15(11)23-2)10-16-17(22)21-18(24-16)20-14-7-5-13(19)6-8-14/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,3,4,20,22,19,23,6,10,2,5,21,18,7,11,12,15,24,17,14,13,8,16/E:(5,6)(7,8)/rA:24nCCCCCCCOCCCCONCSNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6645
Area:557.355
Solvation:-3.26942
Coulombic:-37.2145
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):4.94

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