Chemical ID: 7021524

Cc1ccc2c(c1)C(=NNC(=O)COc3ccc4cc(ccc4c3)Br)C(=O)N2C(C)C
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

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Descriptor Annotations

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