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Chemical ID: 6933729
Chemical ID:
6933729
Name [?]:
4-diethylamino-N-(2-methoxy-4-nitro-phenyl)-benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H21N3O4/c1-4-20(5-2)14-8-6-13(7-9-14)18(22)19-16-11-10-15(21(23)24)12-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,5,22,2,4,8,10,7,11,17,16,19,9,6,18,15,20,12,14,3,23,13,24,25,21/E:(1,2)(4,5)(6,7)(8,9)(23,24)/CRV:21.5/rA:25nCCNCCCCCCCCCONCCCCCCOCN+OO-/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O4 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.3067 |
Area: | 567.949 |
Solvation: | -7.89202 |
Coulombic: | -46.8845 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 343.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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