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Chemical ID: 6511041

Cc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccc(cc4)OC)S2

Chemical ID:

6511041

Name [?]:

5-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylene]-2-(p-tolylamino)thiazol-4-one

SMILES [?]:

Cc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccc(cc4)OC)S2

InChi [?]:

InChI=1/C25H22N2O3S/c1-17-3-9-20(10-4-17)26-25-27-24(28)23(31-25)15-18-5-13-22(14-6-18)30-16-19-7-11-21(29-2)12-8-19/h3-15H,16H2,1-2H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,30,3,7,16,20,24,28,4,6,25,27,17,19,14,22,2,15,23,5,26,18,13,11,9,8,10,12,29,21,31/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31nCCCCCCCNCNCOCCCCCCCCOCCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s26;s29;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₃S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8746
Area:	676.008
Solvation:	-5.02557
Coulombic:	-45.3222

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.52
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.33
LogP (Chemaxon):	5.94

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