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Chemical ID: 6631983
Chemical ID:
6631983
Name [?]:
N'-(1-naphthylmethyleneamino)-N-[2-(p-tolylcarbamoyl)phenyl]-oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc4c3cccc4
InChi [?]:
InChI=1/C27H22N4O3/c1-18-13-15-21(16-14-18)29-25(32)23-11-4-5-12-24(23)30-26(33)27(34)31-28-17-20-9-6-8-19-7-2-3-10-22(19)20/h2-17H,1H3,(H,29,32)(H,30,33)(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,33,32,13,14,27,34,28,26,31,12,15,3,7,4,6,24,2,29,25,5,30,11,16,9,18,20,23,8,17,22,10,19,21/E:(13,14)(15,16)/rA:34nCCCCCCCNCOCCCCCCNCOCONNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22N4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3355 |
Area: | 695.196 |
Solvation: | -4.04443 |
Coulombic: | -67.9752 |
Bond Count [?]
All: | 37 |
Single: | 22 |
Double: | 15 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 450.489 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 6.13 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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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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