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Chemical ID: 7142608

Chemical ID:

7142608

Name [?]:

3-ethyl-2-ethylimino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one

SMILES [?]:

CCN=C1N(C(=O)C(=Cc2ccccc2OC)S1)CC

InChi [?]:

InChI=1/C15H18N2O2S/c1-4-16-15-17(5-2)14(18)13(20-15)10-11-8-6-7-9-12(11)19-3/h6-10H,4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,17,2,19,12,13,11,14,9,10,15,8,6,4,3,5,7,16,18/rA:20nCCNCNCOCCCCCCCCOCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s16;s4s8;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₂O₂S
All Atoms:	38
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	9.26378
Area:	488.435
Solvation:	-2.9471
Coulombic:	-32.4952

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value