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Chemical ID: 5642296

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)NC(=O)c4ccccc4

Chemical ID:

5642296

Name [?]:

N-[4-(2-benzamidothiazol-4-yl)phenyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)NC(=O)c4ccccc4

InChi [?]:

InChI=1/C23H17N3O2S/c27-21(17-7-3-1-4-8-17)24-19-13-11-16(12-14-19)20-15-29-23(25-20)26-22(28)18-9-5-2-6-10-18/h1-15H,(H,24,27)(H,25,26,28)

InChi Info:

AuxInfo=1/1/N:1,27,2,6,26,28,3,5,25,29,12,14,11,15,17,13,4,24,10,16,7,22,19,9,20,21,8,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCONCCCCCCCCSCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇N₃O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4494
Area:	636.965
Solvation:	-3.47469
Coulombic:	-51.6271

Bond Count [?]

All:	32
Single:	19
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	399.466
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.8
LogP (Chemaxon):	5.5

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