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Chemical ID: 5940457

Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)Nc4ccc(cc4)Cl

Chemical ID:

5940457

Name [?]:

N-[3-[2-(4-chlorophenyl)aminothiazol-4-yl]phenyl]-2-methyl-benzamide

SMILES [?]:

Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)Nc4ccc(cc4)Cl

InChi [?]:

InChI=1/C23H18ClN3OS/c1-15-5-2-3-8-20(15)22(28)25-19-7-4-6-16(13-19)21-14-29-23(27-21)26-18-11-9-17(24)10-12-18/h2-14H,1H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,4,5,13,3,14,12,6,25,27,24,28,16,18,2,15,26,23,11,7,17,8,20,29,10,22,21,9,19/E:(9,10)(11,12)/rA:29nCCCCCCCCONCCCCCCCCSCNNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈ClN₃OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3555
Area:	643.821
Solvation:	-2.74
Coulombic:	-42.0099

Bond Count [?]

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

Chemical Properties

Molecular Weight:	419.927
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	6.1
LogP (Chemaxon):	6.68

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