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Chemical ID: 6632074
Chemical ID:
6632074
Name [?]:
N'-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N-[(4-ethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H21ClN4O4/c1-2-33-19-13-7-16(8-14-19)15-26-29-24(32)23(31)28-21-6-4-3-5-20(21)22(30)27-18-11-9-17(25)10-12-18/h3-15H,2H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,6,8,29,31,28,32,5,9,10,7,30,27,4,23,18,24,15,13,33,11,26,17,12,25,16,14,3/E:(7,8)(9,10)(11,12)(13,14)/rA:33nCCOCCCCCCCNNCOCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClN4O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8323 |
Area: | 713.94 |
Solvation: | -5.01622 |
Coulombic: | -74.0805 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 464.901 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.64 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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