Chemical ID: 5800335

Cc1ccc(cc1)COc2ccc(cc2OC)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5
Chemical ID:
5800335
Name [?]:
5-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2OC)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5
InChi [?]:
InChI=1/C31H26N2O3S/c1-22-13-15-23(16-14-22)21-36-27-18-17-24(19-28(27)35-2)20-29-30(34)33(26-11-7-4-8-12-26)31(37-29)32-25-9-5-3-6-10-25/h3-20H,21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,28,35,27,29,34,36,26,30,33,37,3,7,4,6,12,11,14,18,8,2,5,13,25,32,10,15,19,20,23,24,22,21,16,9,31/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:37nCCCCCCCCOCCCCCCOCCCCONCNCCCCCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;w18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s19s23;s22;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H26N2O3S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:11.9297
Area:712.729
Solvation:-5.88851
Coulombic:-41.8843
Bond Count [?]
All:41
Single:26
Double:15
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:506.616
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.51
LogP (Chemaxon):8.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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