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Chemical ID: 6455715

Cc1cccc(c1)N=C2N(C(=O)C(=Cc3ccc(cc3)OCC=C)S2)c4cccc(c4)C

Chemical ID:

6455715

Name [?]:

5-[(4-allyloxyphenyl)methylene]-3-(m-tolyl)-2-(m-tolylimino)thiazolidin-4-one

SMILES [?]:

Cc1cccc(c1)N=C2N(C(=O)C(=Cc3ccc(cc3)OCC=C)S2)c4cccc(c4)C

InChi [?]:

InChI=1/C27H24N2O2S/c1-4-15-31-24-13-11-21(12-14-24)18-25-26(30)29(23-10-6-8-20(3)17-23)27(32-25)28-22-9-5-7-19(2)16-22/h4-14,16-18H,1,15H2,2-3H3

InChi Info:

AuxInfo=1/0/N:24,1,32,23,4,28,3,29,5,27,16,20,17,19,22,7,31,14,2,30,15,6,26,18,13,11,9,8,10,12,21,25/E:(11,12)(13,14)/rA:32nCCCCCCCNCNCOCCCCCCCCOCCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s9s13;s10;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3738
Area:	634.086
Solvation:	-3.47832
Coulombic:	-35.3259

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	6
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	440.558
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.2
LogP (Chemaxon):	7.7

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