ChemicalDetail: Details for an Individual Chemical

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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value