Chemical ID: 6464775

Cc1ccc(c(c1)N=C2N(C(=O)C(=Cc3ccc(cc3)OC)S2)C)C
Chemical ID:
6464775
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(4-methoxyphenyl)methylene]-3-methyl-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2N(C(=O)C(=Cc3ccc(cc3)OC)S2)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-5-6-14(2)17(11-13)21-20-22(3)19(23)18(25-20)12-15-7-9-16(24-4)10-8-15/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,24,22,3,4,16,20,17,19,7,14,2,5,15,18,6,13,11,9,8,10,12,21,23/E:(7,8)(9,10)/rA:25nCCCCCCCNCNCOCCCCCCCCOCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s9s13;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6045
Area:547.055
Solvation:-3.0719
Coulombic:-32.826
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.81
LogP (Chemaxon):5.28

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