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Chemical ID: 6456476

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3OCC(=O)Nc4ccccc4)S2

Chemical ID:

6456476

Name [?]:

2-[2-[[4-oxo-2-(p-tolylimino)thiazolidin-5-ylidene]methyl]phenoxy]-N-phenyl-acetamide

SMILES [?]:

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3OCC(=O)Nc4ccccc4)S2

InChi [?]:

InChI=1/C25H21N3O3S/c1-17-11-13-20(14-12-17)27-25-28-24(30)22(32-25)15-18-7-5-6-10-21(18)31-16-23(29)26-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,26,29)(H,27,28,30)

InChi Info:

AuxInfo=1/1/N:1,29,28,30,17,18,16,27,31,19,3,7,4,6,14,22,2,15,26,5,20,13,23,11,9,25,8,10,24,12,21,32/E:(3,4)(8,9)(11,12)(13,14)/rA:32nCCCCCCCNCNCOCCCCCCCCOCCONCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁N₃O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2334
Area:	688.203
Solvation:	-4.97167
Coulombic:	-58.0157

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	7
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	443.519
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.18
LogP (Chemaxon):	5.65

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

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Chemical Mix	Source	External ID	Descriptor	Value