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Chemical ID: 5498051

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)CC(c3ccccc3)c4ccc(cc4)F

Chemical ID:

5498051

Name [?]:

3-(4-fluorophenyl)-3-phenyl-N-[5-(p-tolylmethyl)thiazol-2-yl]-propanamide

SMILES [?]:

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)CC(c3ccccc3)c4ccc(cc4)F

InChi [?]:

InChI=1/C26H23FN2OS/c1-18-7-9-19(10-8-18)15-23-17-28-26(31-23)29-25(30)16-24(20-5-3-2-4-6-20)21-11-13-22(27)14-12-21/h2-14,17,24H,15-16H2,1H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,3,7,4,6,26,30,27,29,8,17,10,2,5,19,25,28,9,18,15,12,31,11,14,16,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCCCCCCCCNCSNCOCCCCCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s18;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃FN₂OS
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	11.9556
Area:	668.634
Solvation:	-4.76026
Coulombic:	-31.6931

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.538
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.01
LogP (Chemaxon):	6.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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