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Chemical ID: 4656021

c1ccc(cc1)CCN2c3ccccc3C(=NNC(=O)COc4cccc(c4)Cl)C2=O

Chemical ID:

4656021

Name [?]:

2-(3-chlorophenoxy)-N-(2-oxo-1-phenethyl-indolin-3-ylidene)amino-acetamide

SMILES [?]:

c1ccc(cc1)CCN2c3ccccc3C(=NNC(=O)COc4cccc(c4)Cl)C2=O

InChi [?]:

InChI=1/C24H20ClN3O3/c25-18-9-6-10-19(15-18)31-16-22(29)26-27-23-20-11-4-5-12-21(20)28(24(23)30)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,13,12,25,3,5,26,24,14,11,7,8,28,21,4,27,23,15,10,19,16,30,29,18,17,9,20,31,22/E:(2,3)(7,8)/rA:31nCCCCCCCCNCCCCCCCNNCOCOCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s9s16;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀ClN₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5784
Area:	693.9
Solvation:	-6.7691
Coulombic:	-45.5718

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	433.887
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.17
LogP (Chemaxon):	4.72

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