Chemical ID: 4333479

Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)C(C)C)S2
Chemical ID:
4333479
Name [?]:
2-(3-chloro-4-methyl-phenyl)amino-5-[(4-isopropylphenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)C(C)C)S2
InChi [?]:
InChI=1/C20H19ClN2OS/c1-12(2)15-7-5-14(6-8-15)10-18-19(24)23-20(25-18)22-16-9-4-13(3)17(21)11-16/h4-12H,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:23,24,1,3,17,21,18,20,4,15,6,22,2,16,19,5,7,14,12,10,8,9,11,13,25/E:(1,2)(5,6)(7,8)/rA:25nCCCCCCCClNCNCOCCCCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.6792
Area:581.982
Solvation:-1.87036
Coulombic:-31.5225
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:370.896
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.61
LogP (Chemaxon):6.38

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