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Chemical ID: 7021909
Chemical ID:
7021909
Name [?]:
N-(1-isopropyl-5-methoxy-2-oxo-indolin-3-ylidene)amino-2-phenoxy-acetamide
SMILES [?]:
CC(C)N1c2ccc(cc2C(=NNC(=O)COc3ccccc3)C1=O)OC
InChi [?]:
InChI=1/C20H21N3O4/c1-13(2)23-17-10-9-15(26-3)11-16(17)19(20(23)25)22-21-18(24)12-27-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,21,20,22,19,23,7,6,9,16,2,18,8,10,5,14,11,24,13,12,4,15,25,26,17/E:(1,2)(5,6)(7,8)/rA:27nCCCNCCCCCCCNNCOCOCCCCCCCOOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s4s11;d24;s8;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O4 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64004 |
Area: | 598.746 |
Solvation: | -6.32862 |
Coulombic: | -51.6227 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.48 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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