ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 5068240

c1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3)c4ccccc4

Chemical ID:

5068240

Name [?]:

N-(4,5-diphenylthiazol-2-yl)benzamide

SMILES [?]:

c1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C22H16N2OS/c25-21(18-14-8-3-9-15-18)24-22-23-19(16-10-4-1-5-11-16)20(26-22)17-12-6-2-7-13-17/h1-15H,(H,23,24,25)

InChi Info:

AuxInfo=1/1/N:1,24,18,2,6,23,25,17,19,3,5,22,26,16,20,4,21,15,7,8,13,10,11,12,14,9/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCSCNNCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s8;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆N₂OS
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5004
Area:	564.572
Solvation:	-2.61389
Coulombic:	-31.9904

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	356.441
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.36
LogP (Chemaxon):	5.88

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