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Chemical ID: 6452946
Chemical ID:
6452946
Name [?]:
5,7-dimethyl-3-[3-(o-tolyl)-2-(o-tolylimino)-4-oxo-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
Cc1ccccc1N=C2N(C(=O)C(=C3c4cc(cc(c4NC3=O)C)C)S2)c5ccccc5C
InChi [?]:
InChI=1/C27H23N3O2S/c1-15-13-18(4)23-19(14-15)22(25(31)29-23)24-26(32)30(21-12-8-6-10-17(21)3)27(33-24)28-20-11-7-5-9-16(20)2/h5-14H,1-4H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:25,1,33,24,4,30,5,29,3,31,6,28,18,16,17,2,32,19,15,7,27,14,20,13,22,11,9,8,21,10,23,12,26/rA:33nCCCCCCCNCNCOCCCCCCCCNCOCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s14s21;d22;s19;s17;s9s13;s10;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H23N3O2S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5083 |
Area: | 603.374 |
Solvation: | -2.57608 |
Coulombic: | -46.4781 |
Bond Count [?]
All: | 37 |
Single: | 24 |
Double: | 13 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 453.557 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.78 |
LogP (Chemaxon): | 6.38 |
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.
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