ChemDB: Chemical Search
Download
Chemical ID: 5519498
Chemical ID:
5519498
Name [?]:
3-(p-tolyl)-2-(p-tolylimino)-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C27H26N2O4S/c1-17-6-10-20(11-7-17)28-27-29(21-12-8-18(2)9-13-21)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:1,34,22,26,24,3,7,30,32,4,6,29,33,20,16,14,2,31,15,5,28,19,17,13,18,11,9,8,10,12,21,25,23,27/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(22,23)(31,32)/rA:34nCCCCCCCNCNCOCCCCCCCCOCOCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26N2O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52616 |
Area: | 640.218 |
Solvation: | -6.47929 |
Coulombic: | -47.0054 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|