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Chemical ID: 7021475
Chemical ID:
7021475
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-(1-ethyl-5-methyl-2-oxo-indolin-3-ylidene)amino-acetamide
SMILES [?]:
CCN1c2ccc(cc2C(=NNC(=O)COc3ccc4cc(ccc4c3)Br)C1=O)C
InChi [?]:
InChI=1/C23H20BrN3O3/c1-3-27-20-9-4-14(2)10-19(20)22(23(27)29)26-25-21(28)13-30-18-8-6-15-11-17(24)7-5-16(15)12-18/h4-12H,3,13H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,6,24,19,23,18,5,8,21,26,15,7,20,25,22,17,9,4,13,10,28,27,12,11,3,14,29,16/rA:30nCCNCCCCCCCNNCOCOCCCCCCCCCCBrCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;s22;s3s10;d28;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20BrN3O3 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4126 |
Area: | 657.639 |
Solvation: | -5.02839 |
Coulombic: | -45.8633 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 466.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.61 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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