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Chemical ID: 7142609
Chemical ID:
7142609
Name [?]:
3-ethyl-2-ethylimino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2)OC)S1)CC
InChi [?]:
InChI=1/C15H18N2O2S/c1-4-16-15-17(5-2)14(18)13(20-15)10-11-6-8-12(19-3)9-7-11/h6-10H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,17,2,19,11,15,12,14,9,10,13,8,6,4,3,5,7,16,18/E:(6,7)(8,9)/rA:20nCCNCNCOCCCCCCCCOCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s4s8;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2S |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.16359 |
Area: | 490.353 |
Solvation: | -3.09524 |
Coulombic: | -32.0946 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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