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Chemical ID: 6497606
Chemical ID:
6497606
Name [?]:
5-benzylidene-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C17H14N2OS/c1-12-6-5-9-14(10-12)18-17-19-16(20)15(21-17)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,4,3,16,20,5,7,14,2,15,6,13,11,9,8,10,12,21/E:(3,4)(7,8)/rA:21nCCCCCCCNCNCOCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3219 |
Area: | 487.651 |
Solvation: | -1.86939 |
Coulombic: | -30.4541 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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