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Chemical ID: 6995374
Chemical ID:
6995374
Name [?]:
N-(2-oxo-1-propyl-indolin-3-ylidene)amino-2-phenoxy-acetamide
SMILES [?]:
CCCN1c2ccccc2C(=NNC(=O)COc3ccccc3)C1=O
InChi [?]:
InChI=1/C19H19N3O3/c1-2-12-22-16-11-7-6-10-15(16)18(19(22)24)21-20-17(23)13-25-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,8,7,19,23,9,6,3,16,18,10,5,14,11,24,13,12,4,15,25,17/E:(4,5)(8,9)/rA:25nCCCNCCCCCCCNNCOCOCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s4s11;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32387 |
Area: | 569.787 |
Solvation: | -4.9208 |
Coulombic: | -46.1553 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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