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Chemical ID: 6962406
Chemical ID:
6962406
Name [?]:
N1',N7'-bis(2-phenoxyacetyl)nonanedihydrazide
SMILES [?]:
c1ccc(cc1)OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccccc2
InChi [?]:
InChI=1/C25H32N4O6/c30-22(26-28-24(32)18-34-20-12-6-4-7-13-20)16-10-2-1-3-11-17-23(31)27-29-25(33)19-35-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChi Info:
AuxInfo=1/1/N:18,17,19,1,33,2,6,32,34,16,20,3,5,31,35,15,21,8,28,4,30,13,22,9,26,12,24,11,25,14,23,10,27,7,29/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/gE:(1,2)(3,4)/rA:35nCCCCCCOCCONNCOCCCCCCCCONNCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;s24;s25;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N4O6 |
All Atoms: | 67 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6282 |
Area: | 842.088 |
Solvation: | -9.42405 |
Coulombic: | -85.5397 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 20 |
Chiral: | 0 |
Rigid Segments: | 13 |
Chemical Properties
Molecular Weight: | 484.545 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | 3.85 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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