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Chemical ID: 6182180

Chemical ID:

6182180

Name [?]:

N-[(3,4-dimethoxyphenyl)methyleneaminocarbamoylmethyl]benzamide

SMILES [?]:

COc1ccc(cc1OC)C=NNC(=O)CNC(=O)c2ccccc2

InChi [?]:

InChI=1/C18H19N3O4/c1-24-15-9-8-13(10-16(15)25-2)11-20-21-17(22)12-19-18(23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,23)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,10,23,22,24,21,25,5,4,7,11,16,6,20,3,8,14,18,17,12,13,15,19,2,9/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCNNCOCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₃O₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	6.99025
Area:	578.356
Solvation:	-7.46865
Coulombic:	-54.4382

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	341.361
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.73
LogP (Chemaxon):	1.66

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value