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Chemical ID: 4510561
Chemical ID:
4510561
Name [?]:
N'-cycloheptyl-N-(4-pyridylmethyl)oxamide
SMILES [?]:
c1cnccc1CNC(=O)C(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C15H21N3O2/c19-14(17-11-12-7-9-16-10-8-12)15(20)18-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:17,18,16,19,15,20,1,5,2,4,7,6,14,9,11,3,8,13,10,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:20nCCNCCCCNCOCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86012 |
Area: | 489.729 |
Solvation: | -2.38309 |
Coulombic: | -52.179 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.346 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.75 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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