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Chemical ID: 6724929

Chemical ID:

6724929

Name [?]:

2-(4-chlorophenyl)amino-N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]propanamide

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1O)OC)Nc2ccc(cc2)Cl

InChi [?]:

InChI=1/C17H18ClN3O3/c1-11(20-14-8-6-13(18)7-9-14)17(23)21-19-10-12-4-3-5-15(24-2)16(12)22/h3-11,20,22H,1-2H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,16,10,9,11,20,22,19,23,7,2,8,21,18,12,13,3,24,6,17,5,14,4,15/E:(6,7)(8,9)/rA:24cCCCONNCCCCCCCOOCNCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s12;s15;s2;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈ClN₃O₃
All Atoms:	42
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	7.95371
Area:	560.463
Solvation:	-6.05785
Coulombic:	-54.3867

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	347.796
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.06
LogP (Chemaxon):	3.36

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