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Chemical ID: 5843712
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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