Chemical ID: 5843712

COc1ccc(cc1OC)CC(=O)NN=C2c3ccccc3N(C2=O)CCc4ccccc4
Chemical ID:
5843712
Name [?]:
2-(3,4-dimethoxyphenyl)-N-(2-oxo-1-phenethyl-indolin-3-ylidene)amino-acetamide
SMILES [?]:
COc1ccc(cc1OC)CC(=O)NN=C2c3ccccc3N(C2=O)CCc4ccccc4
InChi [?]:
InChI=1/C26H25N3O4/c1-32-22-13-12-19(16-23(22)33-2)17-24(30)27-28-25-20-10-6-7-11-21(20)29(26(25)31)15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,10,31,30,32,19,20,29,33,18,21,5,4,27,26,7,11,28,6,17,22,3,8,12,16,24,14,15,23,13,25,2,9/E:(4,5)(8,9)/rA:33nCOCCCCCCOCCCONNCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s23;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.13766
Area:707.915
Solvation:-8.56023
Coulombic:-50.8242
Bond Count [?]
All:36
Single:24
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:443.495
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.24
LogP (Chemaxon):4.04

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Descriptor Annotations

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