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Chemical ID: 7022129
Chemical ID:
7022129
Name [?]:
N-(1-isobutyl-5-methoxy-2-oxo-indolin-3-ylidene)amino-3,4-dimethoxy-benzamide
SMILES [?]:
CC(C)CN1c2ccc(cc2C(=NNC(=O)c3ccc(c(c3)OC)OC)C1=O)OC
InChi [?]:
InChI=1/C22H25N3O5/c1-13(2)12-25-17-8-7-15(28-3)11-16(17)20(22(25)27)23-24-21(26)14-6-9-18(29-4)19(10-14)30-5/h6-11,13H,12H2,1-5H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,30,26,24,18,8,7,19,22,10,4,2,17,9,11,6,20,21,12,15,27,13,14,5,16,28,29,25,23/E:(1,2)/rA:30nCCCCNCCCCCCCNNCOCCCCCCOCOCCOOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s5s12;d27;s9;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O5 |
All Atoms: | 55 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63308 |
Area: | 642.485 |
Solvation: | -7.42905 |
Coulombic: | -58.7942 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 411.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.56 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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