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Chemical ID: 4612704

CCCN1c2ccccc2C(=NNC(=O)CNC(=O)c3ccc(c(c3)OC)OC)C1=O

Chemical ID:

4612704

Name [?]:

3,4-dimethoxy-N-[(2-oxo-1-propyl-indolin-3-ylidene)aminocarbamoylmethyl]benzamide

SMILES [?]:

CCCN1c2ccccc2C(=NNC(=O)CNC(=O)c3ccc(c(c3)OC)OC)C1=O

InChi [?]:

InChI=1/C22H24N4O5/c1-4-11-26-16-8-6-5-7-15(16)20(22(26)29)25-24-19(27)13-23-21(28)14-9-10-17(30-2)18(12-14)31-3/h5-10,12H,4,11,13H2,1-3H3,(H,23,28)(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,29,27,2,8,7,9,6,21,22,3,25,16,20,10,5,23,24,14,11,18,30,17,13,12,4,15,19,31,28,26/rA:31nCCCNCCCCCCCNNCOCNCOCCCCCCOCOCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s4s11;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₄O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	8.82015
Area:	680.43
Solvation:	-8.19061
Coulombic:	-71.5728

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	424.45
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	2.52
LogP (Chemaxon):	1.63

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