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Chemical ID: 4609400

Cc1ccccc1OCC(=O)NCC(=O)NN=C2c3ccccc3N(C2=O)Cc4ccccc4

Chemical ID:

4609400

Name [?]:

N-[(1-benzyl-2-oxo-indolin-3-ylidene)aminocarbamoylmethyl]-2-(2-methylphenoxy)-acetamide

SMILES [?]:

Cc1ccccc1OCC(=O)NCC(=O)NN=C2c3ccccc3N(C2=O)Cc4ccccc4

InChi [?]:

InChI=1/C26H24N4O4/c1-18-9-5-8-14-22(18)34-17-24(32)27-15-23(31)28-29-25-20-12-6-7-13-21(20)30(26(25)33)16-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3,(H,27,32)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,32,31,33,4,21,22,5,3,30,34,20,23,6,13,28,9,2,29,19,24,7,14,10,18,26,12,16,17,25,15,11,27,8/E:(3,4)(10,11)/rA:34nCCCCCCCOCCONCCONNCCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s18s25;d26;s25;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₄O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8535
Area:	720.055
Solvation:	-7.14791
Coulombic:	-66.5364

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	456.493
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.79
LogP (Chemaxon):	3.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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