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Chemical ID: 6177256

c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccc(c(c3)c4nc5ccccc5s4)O

Chemical ID:

6177256

Name [?]:

N-(3-benzothiazol-2-yl-4-hydroxy-phenyl)-2-phenoxy-benzamide

SMILES [?]:

c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccc(c(c3)c4nc5ccccc5s4)O

InChi [?]:

InChI=1/C26H18N2O3S/c29-22-15-14-17(16-20(22)26-28-21-11-5-7-13-24(21)32-26)27-25(30)19-10-4-6-12-23(19)31-18-8-2-1-3-9-18/h1-16,29H,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,2,6,11,27,10,28,3,5,12,26,9,29,18,19,22,17,4,13,21,25,20,8,30,14,23,16,24,32,15,7,31/E:(2,3)(8,9)/rA:32nCCCCCCOCCCCCCCONCCCCCCCNCCCCCCSO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;d23;s24;s25;d26;s27;d28;d25s29;s23s30;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₈N₂O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5321
Area:	652.014
Solvation:	-4.76822
Coulombic:	-53.1477

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	438.499
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.09
LogP (Chemaxon):	6.67

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