Chemical ID: 7022129

CC(C)CN1c2ccc(cc2C(=NNC(=O)c3ccc(c(c3)OC)OC)C1=O)OC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue