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Chemical ID: 5766529

Chemical ID:

5766529

Name [?]:

2-anilino-N-(1-butyl-2-oxo-indolin-3-ylidene)amino-acetamide

SMILES [?]:

CCCCN1c2ccccc2C(=NNC(=O)CNc3ccccc3)C1=O

InChi [?]:

InChI=1/C20H22N4O2/c1-2-3-13-24-17-12-8-7-11-16(17)19(20(24)26)23-22-18(25)14-21-15-9-5-4-6-10-15/h4-12,21H,2-3,13-14H2,1H3,(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,21,23,9,8,20,24,10,7,4,17,19,11,6,15,12,25,18,14,13,5,16,26/E:(5,6)(9,10)/rA:26nCCCCNCCCCCCCNNCOCNCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s5s12;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂N₄O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3199
Area:	603.109
Solvation:	-4.75786
Coulombic:	-49.4498

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	350.414
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.77
LogP (Chemaxon):	3.21

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