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Chemical ID: 4269534

Chemical ID:

4269534

Name [?]:

2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyleneamino]propanamide

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1)OC)Oc2ccc(cc2)Br

InChi [?]:

InChI=1/C17H17BrN2O3/c1-12(23-15-8-6-14(18)7-9-15)17(21)20-19-11-13-4-3-5-16(10-13)22-2/h3-12H,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,15,10,9,11,19,21,18,22,13,7,2,8,20,17,12,3,23,6,5,4,14,16/E:(6,7)(8,9)/rA:23cCCCONNCCCCCCCOCOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s2;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇BrN₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	7.63674
Area:	550.861
Solvation:	-6.13477
Coulombic:	-34.0601

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	377.233
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.91
LogP (Chemaxon):	4.09

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