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Chemical ID: 4541093

Chemical ID:

4541093

Name [?]:

2-(4-ethoxyphenyl)imino-3-ethyl-5-(2-furylmethylene)thiazolidin-4-one

SMILES [?]:

CCN1C(=O)C(=Cc2ccco2)SC1=Nc3ccc(cc3)OCC

InChi [?]:

InChI=1/C18H18N2O3S/c1-3-20-17(21)16(12-15-6-5-11-23-15)24-18(20)19-13-7-9-14(10-8-13)22-4-2/h5-12H,3-4H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,2,23,10,9,17,21,18,20,11,7,16,19,8,6,4,14,15,3,5,22,12,13/E:(7,8)(9,10)/rA:24nCCNCOCCCCCCOSCNCCCCCCOCC/rB:s1;s2;s3;d4;s4;w6;s7;d8;s9;d10;s8s11;s6;s3s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₃S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.5272
Area:	523.423
Solvation:	-4.55837
Coulombic:	-36.1697

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	342.413
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.7
LogP (Chemaxon):	3.98

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