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Chemical ID: 7140237

Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4)S3

Chemical ID:

7140237

Name [?]:

2-phenylimino-5-[[4-(p-tolylmethoxy)phenyl]methylene]thiazolidin-4-one

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4)S3

InChi [?]:

InChI=1/C24H20N2O2S/c1-17-7-9-19(10-8-17)16-28-21-13-11-18(12-14-21)15-22-23(27)26-24(29-22)25-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,24,28,3,7,4,6,12,14,11,15,16,8,2,13,5,23,10,17,18,21,22,20,19,9,29/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCOCCCCCCCCCONCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₂S
All Atoms:	49
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4468
Area:	638.314
Solvation:	-3.51104
Coulombic:	-38.9372

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	400.494
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.15
LogP (Chemaxon):	6.34

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