Chemical ID: 4513428

c1ccc(cc1)CNc2ccc(cc2C(=O)Nc3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
4513428
Name [?]:
2-benzylamino-5-nitro-N-(4-nitrophenyl)-benzamide
SMILES [?]:
c1ccc(cc1)CNc2ccc(cc2C(=O)Nc3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C20H16N4O5/c25-20(22-15-6-8-16(9-7-15)23(26)27)18-12-17(24(28)29)10-11-19(18)21-13-14-4-2-1-3-5-14/h1-12,21H,13H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,23,20,22,11,10,13,7,4,18,21,12,14,9,15,8,17,24,27,16,25,26,28,29/E:(2,3)(4,5)(6,7)(8,9)(26,27)(28,29)/CRV:23.5,24.5/rA:29nCCCCCCCNCCCCCCCONCCCCCCN+OO-N+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s12;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N4O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:2.07792
Area:623.786
Solvation:-13.5167
Coulombic:-56.2741
Bond Count [?]
All:31
Single:19
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.365
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:4.32
LogP (Chemaxon):5.01

Name Annotations

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Descriptor Annotations

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