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Chemical ID: 6646530
Chemical ID:
6646530
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-[(4-dimethylaminophenyl)methyleneamino]oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C18H19ClN4O2/c1-12-15(19)5-4-6-16(12)21-17(24)18(25)22-20-11-13-7-9-14(10-8-13)23(2)3/h4-11H,1-3H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,5,6,4,18,22,19,21,16,2,17,20,7,3,10,12,8,15,9,14,23,11,13/E:(2,3)(7,8)(9,10)/rA:25nCCCCCCCClNCOCONNCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.401 |
Area: | 579.258 |
Solvation: | -3.08049 |
Coulombic: | -51.1988 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.822 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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