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Chemical ID: 7022093
Chemical ID:
7022093
Name [?]:
N-(1-isobutyl-5-methoxy-2-oxo-indolin-3-ylidene)aminocyclohexanecarboxamide
SMILES [?]:
CC(C)CN1c2ccc(cc2C(=NNC(=O)C3CCCCC3)C1=O)OC
InChi [?]:
InChI=1/C20H27N3O3/c1-13(2)12-23-17-10-9-15(26-3)11-16(17)18(20(23)25)21-22-19(24)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,20,19,21,18,22,8,7,10,4,2,17,9,11,6,12,15,23,13,14,5,16,24,25/E:(1,2)(5,6)(7,8)/rA:26nCCCCNCCCCCCCNNCOCCCCCCCOOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;s5s12;d23;s9;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O3 |
All Atoms: | 53 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4126 |
Area: | 580.27 |
Solvation: | -4.0942 |
Coulombic: | -44.7753 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.19 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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