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Chemical ID: 6961060
Chemical ID:
6961060
Name [?]:
N-[3-(1,3-dioxoisoindolin-2-yl)phenyl]-4-isopropyl-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)Nc2cccc(c2)N3C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C24H20N2O3/c1-15(2)16-10-12-17(13-11-16)22(27)25-18-6-5-7-19(14-18)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-15H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,15,14,16,23,26,5,9,6,8,18,2,4,7,13,17,22,27,10,20,28,12,19,11,21,29/E:(1,2)(3,4)(8,9)(10,11)(12,13)(20,21)(23,24)(28,29)/rA:29nCCCCCCCCCCONCCCCCCNCOCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;s19s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O3 |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3723 |
Area: | 607.95 |
Solvation: | -2.82645 |
Coulombic: | -50.5664 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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