Chemical ID: 6632613

c1ccc(c(c1)C(=O)NC2CCCCC2)NC(=O)C(=O)NN=Cc3cccc(c3Cl)Cl
Chemical ID:
6632613
Name [?]:
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,3-dichlorophenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCCCC2)NC(=O)C(=O)NN=Cc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C22H22Cl2N4O3/c23-17-11-6-7-14(19(17)24)13-25-28-22(31)21(30)27-18-12-5-4-10-16(18)20(29)26-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,26,29)(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,26,25,11,15,6,27,3,23,24,10,5,28,4,29,7,17,19,31,30,22,9,16,21,8,18,20/E:(2,3)(8,9)/rA:31nCCCCCCCONCCCCCCNCOCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s4;s16;d17;s17;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22Cl2N4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.6488
Area:683.829
Solvation:-3.44695
Coulombic:-68.0832
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:461.341
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:5.93
LogP (Chemaxon):5.15

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Descriptor Annotations

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