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Chemical ID: 7020763

CCCN1c2ccccc2C(=NNC(=O)CCCNC(=O)c3ccccc3Cl)C1=O

Chemical ID:

7020763

Name [?]:

2-chloro-N-[3-[(2-oxo-1-propyl-indolin-3-ylidene)aminocarbamoyl]propyl]benzamide

SMILES [?]:

CCCN1c2ccccc2C(=NNC(=O)CCCNC(=O)c3ccccc3Cl)C1=O

InChi [?]:

InChI=1/C22H23ClN4O3/c1-2-14-27-18-11-6-4-9-16(18)20(22(27)30)26-25-19(28)12-7-13-24-21(29)15-8-3-5-10-17(15)23/h3-6,8-11H,2,7,12-14H2,1H3,(H,24,29)(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,2,24,8,25,7,17,23,9,26,6,16,18,3,22,10,27,5,14,11,20,29,28,19,13,12,4,15,21,30/rA:30nCCCNCCCCCCCNNCOCCCNCOCCCCCCClCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s4s11;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₄O₃
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7511
Area:	686.65
Solvation:	-4.41514
Coulombic:	-59.7846

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	426.896
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.09
LogP (Chemaxon):	3.09

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

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

Chemical Mix	Source	External ID	Descriptor	Value