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Chemical ID: 6646842
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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