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Chemical ID: 6332351
Chemical ID:
6332351
Name [?]:
3-[3-(m-tolyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-phenethyl-indolin-2-one
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=C3c4ccccc4N(C3=O)CCc5ccccc5)SC2=S
InChi [?]:
InChI=1/C26H20N2O2S2/c1-17-8-7-11-19(16-17)28-25(30)23(32-26(28)31)22-20-12-5-6-13-21(20)27(24(22)29)15-14-18-9-3-2-4-10-18/h2-13,16H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,28,15,16,4,3,25,29,5,14,17,23,22,7,2,24,6,13,18,12,11,20,9,31,19,8,21,10,32,30/E:(3,4)(9,10)/rA:32nCCCCCCCNCOCCCCCCCCNCOCCCCCCCCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s19;s22;s23;s24;d25;s26;d27;d24s28;s11;s8s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20N2O2S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3856 |
Area: | 671.358 |
Solvation: | -2.39833 |
Coulombic: | -38.2315 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 456.581 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.71 |
LogP (Chemaxon): | 5.63 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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