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Chemical ID: 4162885
Chemical ID:
4162885
Name [?]:
N-(2,4-dimethylphenyl)-3-(1,3-dioxoisoindolin-2-yl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2ccc(c(c2)N3C(=O)c4ccccc4C3=O)C
InChi [?]:
InChI=1/C24H20N2O3/c1-14-8-11-20(16(3)12-14)25-22(27)17-10-9-15(2)21(13-17)26-23(28)18-6-4-5-7-19(18)24(26)29/h4-13H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,8,23,24,22,25,3,14,13,4,7,17,2,15,6,12,21,26,5,16,10,19,27,9,18,11,20,28/E:(4,5)(6,7)(18,19)(23,24)(28,29)/rA:29nCCCCCCCCNCOCCCCCCNCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s18s26;d27;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7823 |
Area: | 609.136 |
Solvation: | -3.44614 |
Coulombic: | -48.7929 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 384.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.12 |
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.
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