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Chemical ID: 4111725

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4)S2)C

Chemical ID:

4111725

Name [?]:

5-[(4-benzyloxyphenyl)methylene]-2-(3,5-dimethylphenyl)imino-thiazolidin-4-one

SMILES [?]:

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4)S2)C

InChi [?]:

InChI=1/C25H22N2O2S/c1-17-12-18(2)14-21(13-17)26-25-27-24(28)23(30-25)15-19-8-10-22(11-9-19)29-16-20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,30,26,25,27,24,28,16,20,17,19,3,7,5,14,22,2,4,15,23,6,18,13,11,9,8,10,12,21,29/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(17,18)/rA:30nCCCCCCCNCNCOCCCCCCCCOCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0907
Area:	662.167
Solvation:	-3.46348
Coulombic:	-38.6671

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	414.52
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.59
LogP (Chemaxon):	6.81

Name Annotations

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

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