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Chemical ID: 6130861
Chemical ID:
6130861
Name [?]:
N,N-dibenzyl-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)COc3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C22H20N2O4/c25-22(17-28-21-14-8-7-13-20(21)24(26)27)23(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-14H,15-17H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,23,22,3,5,11,15,24,21,7,9,18,4,10,25,20,16,8,26,17,27,28,19/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)(18,19)(26,27)/CRV:24.5/rA:28nCCCCCCCNCCCCCCCCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.31711 |
Area: | 593.036 |
Solvation: | -12.5088 |
Coulombic: | -35.9648 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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