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Chemical ID: 4824183

Chemical ID:

4824183

Name [?]:

2-(2-methylphenoxy)-N-(2-oxo-1-propyl-indolin-3-ylidene)amino-acetamide

SMILES [?]:

CCCN1c2ccccc2C(=NNC(=O)COc3ccccc3C)C1=O

InChi [?]:

InChI=1/C20H21N3O3/c1-3-12-23-16-10-6-5-9-15(16)19(20(23)25)22-21-18(24)13-26-17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,24,2,21,8,7,20,22,9,6,19,3,16,23,10,5,18,14,11,25,13,12,4,15,26,17/rA:26nCCCNCCCCCCCNNCOCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s4s11;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁N₃O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.4861
Area:	591.333
Solvation:	-6.29722
Coulombic:	-44.1949

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	351.399
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.69
LogP (Chemaxon):	3.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value