Chemical ID: 5796320

CC(C)CN(CC(C)C)c1ccc(cc1C=NNC(=O)COc2ccccc2OC)[N+](=O)[O-]
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

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Descriptor Annotations

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