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Chemical ID: 7106429

Chemical ID:

7106429

Name [?]:

2-[2-chloro-4-(2-diethylaminoethylaminomethyl)-6-methoxy-phenoxy]acetamide

SMILES [?]:

CCN(CC)CCNCc1cc(c(c(c1)Cl)OCC(=O)N)OC

InChi [?]:

InChI=1/C16H26ClN3O3/c1-4-20(5-2)7-6-19-10-12-8-13(17)16(14(9-12)22-3)23-11-15(18)21/h8-9,19H,4-7,10-11H2,1-3H3,(H2,18,21)

InChi Info:

AuxInfo=1/1/N:1,5,23,2,4,7,6,15,11,9,18,10,14,12,19,13,16,21,8,3,20,22,17/E:(1,2)(4,5)/rA:23nCCNCCCCNCCCCCCCClOCCONOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;s18;d19;s19;s12;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₆ClN₃O₃
All Atoms:	49
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75771
Area:	595.037
Solvation:	-6.11821
Coulombic:	-53.6447

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	343.849
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	1.07
LogP (Chemaxon):	0.93

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