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Chemical ID: 7142664
Chemical ID:
7142664
Name [?]:
5-[(4-ethoxyphenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2)OCC)S1)CC
InChi [?]:
InChI=1/C16H20N2O2S/c1-4-17-16-18(5-2)15(19)14(21-16)11-12-7-9-13(10-8-12)20-6-3/h7-11H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,18,2,20,17,11,15,12,14,9,10,13,8,6,4,3,5,7,16,19/E:(7,8)(9,10)/rA:21nCCNCNCOCCCCCCCCOCCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s4s8;s5;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2S |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.91895 |
Area: | 517.211 |
Solvation: | -3.01133 |
Coulombic: | -32.3605 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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