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Chemical ID: 5940167

Cc1cccc(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccccc4C

Chemical ID:

5940167

Name [?]:

2-methyl-N-[4-[2-(m-tolylamino)thiazol-4-yl]phenyl]-benzamide

SMILES [?]:

Cc1cccc(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccccc4C

InChi [?]:

InChI=1/C24H21N3OS/c1-16-6-5-8-20(14-16)26-24-27-22(15-29-24)18-10-12-19(13-11-18)25-23(28)21-9-4-3-7-17(21)2/h3-15H,1-2H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,29,26,25,4,3,27,5,24,15,19,16,18,7,12,2,28,14,17,6,23,11,21,9,20,8,10,22,13/E:(10,11)(12,13)/rA:29nCCCCCCCNCNCCSCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2002
Area:	630.227
Solvation:	-2.55551
Coulombic:	-41.978

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	399.509
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	5.91
LogP (Chemaxon):	6.63

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

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Chemical Mix	Source	External ID	Descriptor	Value