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Chemical ID: 6632613
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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