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Chemical ID: 6413931

Cc1cc(ccc1NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3cccc4c3cccc4)Cl

Chemical ID:

6413931

Name [?]:

N-(4-chloro-2-methyl-phenyl)-N'-[[4-(1-naphthylmethoxy)phenyl]methyleneamino]oxamide

SMILES [?]:

Cc1cc(ccc1NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3cccc4c3cccc4)Cl

InChi [?]:

InChI=1/C27H22ClN3O3/c1-18-15-22(28)11-14-25(18)30-26(32)27(33)31-29-16-19-9-12-23(13-10-19)34-17-21-7-4-6-20-5-2-3-8-24(20)21/h2-16H,17H2,1H3,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,32,31,26,33,27,25,30,17,21,5,18,20,6,3,15,23,2,16,28,24,4,19,29,7,9,11,34,14,8,13,10,12,22/E:(9,10)(12,13)/rA:34nCCCCCCCNCOCONNCCCCCCCOCCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s29;d30;s31;s28d32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂ClN₃O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.8999
Area:	727.466
Solvation:	-4.28678
Coulombic:	-54.9331

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.935
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.76
LogP (Chemaxon):	5.84

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