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Chemical ID: 5796320
Chemical ID:
5796320
Name [?]:
N-[(2-diisobutylamino-5-nitro-phenyl)methyleneamino]-2-(2-methoxyphenoxy)-acetamide
SMILES [?]:
CC(C)CN(CC(C)C)c1ccc(cc1C=NNC(=O)COc2ccccc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C24H32N4O5/c1-17(2)14-27(15-18(3)4)21-11-10-20(28(30)31)12-19(21)13-25-26-24(29)16-33-23-9-7-6-8-22(23)32-5/h6-13,17-18H,14-16H2,1-5H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,30,26,25,27,24,12,11,14,16,4,6,21,2,7,15,13,10,28,23,19,17,18,5,31,20,32,33,29,22/E:(1,2,3,4)(14,15)(17,18)(30,31)/CRV:28.5/rA:33nCCCCNCCCCCCCCCCCNNCOCOCCCCCCOCN+OO-/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;s10;d11;s12;d13;d10s14;s15;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s29;s13;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N4O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.92002 |
Area: | 706.574 |
Solvation: | -12.7443 |
Coulombic: | -50.816 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 456.535 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 5.46 |
LogP (Chemaxon): | 5.41 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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