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Chemical ID: 4377575

c1ccc(cc1)CNc2nc(cs2)c3cccc(c3)NC(=O)c4ccccc4

Chemical ID:

4377575

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CNc2nc(cs2)c3cccc(c3)NC(=O)c4ccccc4

InChi [?]:

InChI=1/C23H19N3OS/c27-22(18-10-5-2-6-11-18)25-20-13-7-12-19(14-20)21-16-28-23(26-21)24-15-17-8-3-1-4-9-17/h1-14,16H,15H2,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,26,2,6,25,27,16,3,5,24,28,15,17,19,7,12,4,23,14,18,11,21,9,8,20,10,22,13/E:(3,4)(5,6)(8,9)(10,11)/rA:28nCCCCCCCNCNCCSCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉N₃OS
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7901
Area:	632.085
Solvation:	-3.012
Coulombic:	-43.0282

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	385.483
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	5.18
LogP (Chemaxon):	5.8

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