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Chemical ID: 7021961
Chemical ID:
7021961
Name [?]:
N-(5-methoxy-2-oxo-1-propyl-indolin-3-ylidene)amino-2-phenyl-acetamide
SMILES [?]:
CCCN1c2ccc(cc2C(=NNC(=O)Cc3ccccc3)C1=O)OC
InChi [?]:
InChI=1/C20H21N3O3/c1-3-11-23-17-10-9-15(26-2)13-16(17)19(20(23)25)22-21-18(24)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,20,19,21,18,22,7,6,3,16,9,17,8,10,5,14,11,23,13,12,4,15,24,25/E:(5,6)(7,8)/rA:26nCCCNCCCCCCCNNCOCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s4s11;d23;s8;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75416 |
Area: | 587.1 |
Solvation: | -4.92334 |
Coulombic: | -44.4196 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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