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Chemical ID: 7407103
Chemical ID:
7407103
Name [?]:
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide
SMILES [?]:
COc1ccc(cc1OC)c2nc(on2)CNC(=O)C3CCCCC3
InChi [?]:
InChI=1/C18H23N3O4/c1-23-14-9-8-13(10-15(14)24-2)17-20-16(25-21-17)11-19-18(22)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,10,23,22,24,21,25,5,4,7,16,20,6,3,8,13,11,18,17,12,15,19,2,9,14/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCNCONCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d11s14;s13;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O4 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71267 |
Area: | 574.421 |
Solvation: | -5.64784 |
Coulombic: | -46.8268 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 345.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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