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Chemical ID: 7269691
Chemical ID:
7269691
Name [?]:
2-acetamido-3-(1H-indol-3-yl)-N-[2-(2-pyridyl)ethyl]propanamide
SMILES [?]:
CC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NCCc3ccccn3
InChi [?]:
InChI=1/C20H22N4O2/c1-14(25)24-19(12-15-13-23-18-8-3-2-7-17(15)18)20(26)22-11-9-16-6-4-5-10-21-16/h2-8,10,13,19,23H,9,11-12H2,1H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,13,14,23,24,22,12,15,20,25,19,6,8,2,7,21,11,10,5,16,26,18,9,4,3,17/rA:26cCCONCCCCNCCCCCCCONCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s5;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N4O2 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.51013 |
Area: | 580.748 |
Solvation: | -5.00856 |
Coulombic: | -55.3796 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.414 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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