Chemical ID: 7022093

CC(C)CN1c2ccc(cc2C(=NNC(=O)C3CCCCC3)C1=O)OC
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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