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Chemical ID: 7275850
Chemical ID:
7275850
Name [?]:
N-(4-acetylphenyl)-2-(4-cyano-2-methoxy-phenoxy)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2OC)C#N
InChi [?]:
InChI=1/C18H16N2O4/c1-12(21)14-4-6-15(7-5-14)20-18(22)11-24-16-8-3-13(10-19)9-17(16)23-2/h3-9H,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,17,5,9,6,8,16,19,23,13,2,18,4,7,15,20,11,24,10,3,12,21,14/E:(4,5)(6,7)/rA:24nCCOCCCCCCNCOCOCCCCCCOCCN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.07678 |
Area: | 558.698 |
Solvation: | -7.89068 |
Coulombic: | -43.7883 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 324.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.88 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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