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Chemical ID: 6964439

Chemical ID:

6964439

Name [?]:

2-(3-chloro-2-methyl-phenyl)amino-N-[(2-ethoxyphenyl)methyleneamino]acetamide

SMILES [?]:

CCOc1ccccc1C=NNC(=O)CNc2cccc(c2C)Cl

InChi [?]:

InChI=1/C18H20ClN3O2/c1-3-24-17-10-5-4-7-14(17)11-21-22-18(23)12-20-16-9-6-8-15(19)13(16)2/h4-11,20H,3,12H2,1-2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,23,2,7,6,19,8,20,18,5,10,15,22,9,21,17,4,13,24,16,11,12,14,3/rA:24nCCOCCCCCCCNNCOCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀ClN₃O₂
All Atoms:	44
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.22412
Area:	570.688
Solvation:	-6.04307
Coulombic:	-36.9169

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	345.823
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.59
LogP (Chemaxon):	3.92

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