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Chemical ID: 5448455

Chemical ID:

5448455

Name [?]:

N-(5-benzylthiazol-2-yl)-4-ethoxy-benzamide

SMILES [?]:

CCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3

InChi [?]:

InChI=1/C19H18N2O2S/c1-2-23-16-10-8-15(9-11-16)18(22)21-19-20-13-17(24-19)12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,22,21,23,20,24,6,8,5,9,18,15,19,7,4,16,10,13,14,12,11,3,17/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCOCCCCCCCONCNCCSCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1108
Area:	567.499
Solvation:	-4.07664
Coulombic:	-35.4071

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	338.424
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.28
LogP (Chemaxon):	4.13

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