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Chemical ID: 5940089

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)Cl

Chemical ID:

5940089

Name [?]:

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

SMILES [?]:

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)Cl

InChi [?]:

InChI=1/C22H16ClN3OS/c23-17-7-4-8-19(13-17)25-22-26-20(14-28-22)15-9-11-18(12-10-15)24-21(27)16-5-2-1-3-6-16/h1-14H,(H,24,27)(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,24,3,5,25,23,12,14,11,15,27,17,13,4,26,10,22,16,7,19,28,9,21,20,8,18/E:(2,3)(5,6)(9,10)(11,12)/rA:28nCCCCCCCONCCCCCCCCSCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆ClN₃OS
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0604
Area:	629.982
Solvation:	-2.68917
Coulombic:	-42.2385

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	405.901
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	5.66
LogP (Chemaxon):	6.22

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