Chemical ID: 4294086

Cc1c(c(c(c(c1C)C)C(=O)Nc2ccc(cc2[N+](=O)[O-])OC)C)C
Chemical ID:
4294086
Name [?]:
N-(4-methoxy-2-nitro-phenyl)-2,3,4,5,6-pentamethyl-benzamide
SMILES [?]:
Cc1c(c(c(c(c1C)C)C(=O)Nc2ccc(cc2[N+](=O)[O-])OC)C)C
InChi [?]:
InChI=1/C19H22N2O4/c1-10-11(2)13(4)18(14(5)12(10)3)19(22)20-16-8-7-15(25-6)9-17(16)21(23)24/h7-9H,1-6H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,25,9,24,23,15,14,17,2,7,3,6,4,16,13,18,5,10,12,19,11,20,21,22/E:(2,3)(4,5)(11,12)(13,14)(23,24)/CRV:21.5/rA:25nCCCCCCCCCCONCCCCCCN+OO-OCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s16;s22;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.37179
Area:535.093
Solvation:-7.00555
Coulombic:-41.6508
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.51
LogP (Chemaxon):5.14

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Descriptor Annotations

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