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Chemical ID: 6621042

Chemical ID:

6621042

Name [?]:

5-bromo-2-ethoxy-N-[(2-hydroxyphenyl)methyleneamino]benzamide

SMILES [?]:

CCOc1ccc(cc1C(=O)NN=Cc2ccccc2O)Br

InChi [?]:

InChI=1/C16H15BrN2O3/c1-2-22-15-8-7-12(17)9-13(15)16(21)19-18-10-11-5-3-4-6-14(11)20/h3-10,20H,2H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,17,18,16,19,6,5,8,14,15,7,9,20,4,10,22,13,12,21,11,3/rA:22nCCOCCCCCCCONNCCCCCCCOBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅BrN₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.09303
Area:	508.6
Solvation:	-5.62197
Coulombic:	-41.9686

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	363.206
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.72
LogP (Chemaxon):	3.84

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