Chemical ID: 7022110

CC(C)CN1c2ccc(cc2C(=NNC(=O)c3ccc(cc3)O)C1=O)OC
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

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Descriptor Annotations

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