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Chemical ID: 7021524
Chemical ID:
7021524
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-(1-isopropyl-5-methyl-2-oxo-indolin-3-ylidene)amino-acetamide
SMILES [?]:
Cc1ccc2c(c1)C(=NNC(=O)COc3ccc4cc(ccc4c3)Br)C(=O)N2C(C)C
InChi [?]:
InChI=1/C24H22BrN3O3/c1-14(2)28-21-9-4-15(3)10-20(21)23(24(28)30)27-26-22(29)13-31-19-8-6-16-11-18(25)7-5-17(16)12-19/h4-12,14H,13H2,1-3H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:30,31,1,3,22,17,21,16,4,7,19,24,13,29,2,18,23,20,15,6,5,11,8,26,25,10,9,28,12,27,14/E:(1,2)/rA:31nCCCCCCCCNNCOCOCCCCCCCCCCBrCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;s20;s8;d26;s5s26;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22BrN3O3 |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8654 |
Area: | 673.968 |
Solvation: | -4.98382 |
Coulombic: | -46.0762 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 480.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.07 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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