Chemical ID: 6646842

CCN(CC)c1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2C)Cl
Chemical ID:
6646842
Name [?]:
N'-(3-chloro-2-methyl-phenyl)-N-[(4-diethylaminophenyl)methyleneamino]oxamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C20H23ClN4O2/c1-4-25(5-2)16-11-9-15(10-12-16)13-22-24-20(27)19(26)23-18-8-6-7-17(21)14(18)3/h6-13H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,5,26,2,4,22,23,21,8,10,7,11,12,25,9,6,24,20,17,15,27,13,19,14,3,18,16/E:(1,2)(4,5)(9,10)(11,12)/rA:27nCCNCCCCCCCCCNNCOCONCCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23ClN4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6145
Area:625.564
Solvation:-3.02457
Coulombic:-51.5864
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:386.875
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.93
LogP (Chemaxon):4.26

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