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Chemical ID: 7253068
Chemical ID:
7253068
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc(cc2)N3CCOCC3)C#N
InChi [?]:
InChI=1/C20H21N3O4/c1-25-19-12-15(13-21)2-7-18(19)27-14-20(24)22-16-3-5-17(6-4-16)23-8-10-26-11-9-23/h2-7,12H,8-11,14H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,15,19,16,18,7,21,25,22,24,4,26,10,5,14,17,8,3,11,27,13,20,12,2,23,9/E:(3,4)(5,6)(8,9)(10,11)/rA:27nCOCCCCCCOCCONCCCCCCNCCOCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;s23;s20s24;s5;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O4 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.29095 |
Area: | 603.175 |
Solvation: | -8.78843 |
Coulombic: | -50.5112 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.85 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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