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Chemical ID: 6455709
Chemical ID:
6455709
Name [?]:
3-(m-tolyl)-2-(m-tolylimino)-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)c4cccc(c4)C
InChi [?]:
InChI=1/C27H26N2O4S/c1-17-8-6-10-20(12-17)28-27-29(21-11-7-9-18(2)13-21)26(30)24(34-27)16-19-14-22(31-3)25(33-5)23(15-19)32-4/h6-16H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,34,22,26,24,4,30,3,31,5,29,7,33,20,16,14,2,32,15,6,28,19,17,13,18,11,9,8,10,12,21,25,23,27/E:(3,4)(14,15)(22,23)(31,32)/rA:34nCCCCCCCNCNCOCCCCCCCCOCOCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s17;s25;s9s13;s10;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26N2O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58892 |
Area: | 643.137 |
Solvation: | -6.4895 |
Coulombic: | -47.0774 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 474.572 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.02 |
LogP (Chemaxon): | 6.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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