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Chemical ID: 4680928

Chemical ID:

4680928

Name [?]:

N-[(2-methoxyphenyl)methyleneaminocarbamoylmethyl]benzamide

SMILES [?]:

COc1ccccc1C=NNC(=O)CNC(=O)c2ccccc2

InChi [?]:

InChI=1/C17H17N3O3/c1-23-15-10-6-5-9-14(15)11-19-20-16(21)12-18-17(22)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,18,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,6,5,19,23,7,4,9,14,18,8,3,12,16,15,10,11,13,17,2/E:(3,4)(7,8)/rA:23nCOCCCCCCCNNCOCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.57463
Area:	538.357
Solvation:	-4.88431
Coulombic:	-49.1871

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	311.335
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.08
LogP (Chemaxon):	1.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value