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Chemical ID: 7022110
Chemical ID:
7022110
Name [?]:
4-hydroxy-N-(1-isobutyl-5-methoxy-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CC(C)CN1c2ccc(cc2C(=NNC(=O)c3ccc(cc3)O)C1=O)OC
InChi [?]:
InChI=1/C20H21N3O4/c1-12(2)11-23-17-9-8-15(27-3)10-16(17)18(20(23)26)21-22-19(25)13-4-6-14(24)7-5-13/h4-10,12,24H,11H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,27,18,22,19,21,8,7,10,4,2,17,20,9,11,6,12,15,24,13,14,5,23,16,25,26/E:(1,2)(4,5)(6,7)/rA:27nCCCCNCCCCCCCNNCOCCCCCCOCOOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s5s12;d24;s9;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O4 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77697 |
Area: | 588.892 |
Solvation: | -4.94534 |
Coulombic: | -61.5645 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.399 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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