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Chemical ID: 4149882
Chemical ID:
4149882
Name [?]:
N-(2-methoxy-4-nitro-phenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide
SMILES [?]:
CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C24H24N2O5/c1-24(2,17-7-5-4-6-8-17)18-9-12-20(13-10-18)31-16-23(27)25-21-14-11-19(26(28)29)15-22(21)30-3/h4-15H,16H2,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,28,7,6,8,5,9,11,15,23,12,14,22,25,17,4,10,24,13,21,26,18,2,20,29,19,30,31,27,16/E:(1,2)(5,6)(7,8)(9,10)(12,13)(28,29)/CRV:26.5/rA:31nCCCCCCCCCCCCCCCOCCONCCCCCCOCN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;s24;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.64954 |
Area: | 664.076 |
Solvation: | -9.95235 |
Coulombic: | -49.2932 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 420.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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