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Chemical ID: 5862125
Chemical ID:
5862125
Name [?]:
N-benzyl-N'-[2-(1H-indol-3-yl)ethyl]oxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C(=O)NCCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C19H19N3O2/c23-18(19(24)22-12-14-6-2-1-3-7-14)20-11-10-15-13-21-17-9-5-4-8-16(15)17/h1-9,13,21H,10-12H2,(H,20,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,3,5,21,24,15,14,7,17,4,16,20,19,11,9,13,18,8,12,10/E:(2,3)(6,7)/rA:24nCCCCCCCNCOCONCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s13;s14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6207 |
Area: | 566.497 |
Solvation: | -2.54175 |
Coulombic: | -60.1037 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.373 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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