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Chemical ID: 7020761

CCCCN1c2ccccc2C(=NNC(=O)CCCNC(=O)c3ccccc3Cl)C1=O

Chemical ID:

7020761

Name [?]:

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

SMILES [?]:

CCCCN1c2ccccc2C(=NNC(=O)CCCNC(=O)c3ccccc3Cl)C1=O

InChi [?]:

InChI=1/C23H25ClN4O3/c1-2-3-15-28-19-12-7-5-10-17(19)21(23(28)31)27-26-20(29)13-8-14-25-22(30)16-9-4-6-11-18(16)24/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,25,30)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,2,3,25,9,26,8,18,24,10,27,7,17,19,4,23,11,28,6,15,12,21,30,29,20,14,13,5,16,22,31/rA:31nCCCCNCCCCCCCNNCOCCCNCOCCCCCCClCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s5s12;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅ClN₄O₃
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4594
Area:	714.427
Solvation:	-4.40129
Coulombic:	-60.1023

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	440.922
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.66
LogP (Chemaxon):	3.49

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