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Chemical ID: 5775846

c1ccc(cc1)C=CC=C2C(=O)N(C(=Nc3ccccc3)S2)C4CCCCC4

Chemical ID:

5775846

Name [?]:

5-cinnamylidene-3-cyclohexyl-2-phenylimino-thiazolidin-4-one

SMILES [?]:

c1ccc(cc1)C=CC=C2C(=O)N(C(=Nc3ccccc3)S2)C4CCCCC4

InChi [?]:

InChI=1/C24H24N2OS/c27-23-22(18-10-13-19-11-4-1-5-12-19)28-24(25-20-14-6-2-7-15-20)26(23)21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21H,3,8-9,16-17H2

InChi Info:

AuxInfo=1/0/N:1,19,26,2,6,18,20,25,27,8,3,5,7,17,21,24,28,9,4,16,23,10,11,14,15,13,12,22/E:(4,5)(6,7)(8,9)(11,12)(14,15)(16,17)/rA:28nCCCCCCCCCCCONCNCCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s10s14;s13;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂OS
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7533
Area:	574.523
Solvation:	-1.6098
Coulombic:	-29.378

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	4
Chiral:	3
Rigid Segments:	5

Chemical Properties

Molecular Weight:	388.526
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.54
LogP (Chemaxon):	6.72

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