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Chemical ID: 5450105

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc(cc3)OCc4ccccc4

Chemical ID:

5450105

Name [?]:

4-benzyloxy-N-[5-(p-tolylmethyl)thiazol-2-yl]-benzamide

SMILES [?]:

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc(cc3)OCc4ccccc4

InChi [?]:

InChI=1/C25H22N2O2S/c1-18-7-9-19(10-8-18)15-23-16-26-25(30-23)27-24(28)21-11-13-22(14-12-21)29-17-20-5-3-2-4-6-20/h2-14,16H,15,17H2,1H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,26,30,3,7,4,6,18,22,19,21,8,10,24,2,5,25,17,20,9,15,12,11,14,16,23,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCCCCCCCCCNCSNCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3543
Area:	675.637
Solvation:	-4.5366
Coulombic:	-36.9805

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	414.52
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.01
LogP (Chemaxon):	6.04

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