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Chemical ID: 6652387
Chemical ID:
6652387
Name [?]:
N'-(2-morpholinocarbonylphenyl)-N-(1-naphthylmethyleneamino)oxamide
SMILES [?]:
c1ccc2c(c1)cccc2C=NNC(=O)C(=O)Nc3ccccc3C(=O)N4CCOCC4
InChi [?]:
InChI=1/C24H22N4O4/c29-22(23(30)27-25-16-18-8-5-7-17-6-1-2-9-19(17)18)26-21-11-4-3-10-20(21)24(31)28-12-14-32-15-13-28/h1-11,16H,12-15H2,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,8,6,7,9,3,23,20,28,32,29,31,11,5,10,4,24,19,16,14,25,12,18,13,27,17,15,26,30/E:(12,13)(14,15)/rA:32nCCCCCCCCCCCNNCOCONCCCCCCCONCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N4O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1269 |
Area: | 652.717 |
Solvation: | -5.19107 |
Coulombic: | -70.8102 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 430.456 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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