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Chemical ID: 6964448

Cc1c(cccc1Cl)NCC(=O)NN=Cc2c3ccccc3cc4c2cccc4

Chemical ID:

6964448

Name [?]:

N-(9-anthrylmethyleneamino)-2-(3-chloro-2-methyl-phenyl)amino-acetamide

SMILES [?]:

Cc1c(cccc1Cl)NCC(=O)NN=Cc2c3ccccc3cc4c2cccc4

InChi [?]:

InChI=1/C24H20ClN3O/c1-16-22(25)11-6-12-23(16)26-15-24(29)28-27-14-21-19-9-4-2-7-17(19)13-18-8-3-5-10-20(18)21/h2-14,26H,15H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,20,28,19,27,5,21,29,18,26,6,4,23,15,10,2,22,24,17,25,16,7,3,11,8,9,14,13,12/E:(2,3)(4,5)(7,8)(9,10)(17,18)(19,20)/rA:29nCCCCCCCClNCCONNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;s10;d11;s11;s13;w14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀ClN₃O
All Atoms:	49
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4717
Area:	625.359
Solvation:	-4.16222
Coulombic:	-33.5411

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	401.888
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	6.79
LogP (Chemaxon):	5.83

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

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

Chemical Mix	Source	External ID	Descriptor	Value