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Chemical ID: 4824627
Chemical ID:
4824627
Name [?]:
N-(1-ethyl-2-oxo-indolin-3-ylidene)amino-2-(2-methylphenoxy)-acetamide
SMILES [?]:
CCN1c2ccccc2C(=NNC(=O)COc3ccccc3C)C1=O
InChi [?]:
InChI=1/C19H19N3O3/c1-3-22-15-10-6-5-9-14(15)18(19(22)24)21-20-17(23)12-25-16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,20,7,6,19,21,8,5,18,15,22,9,4,17,13,10,24,12,11,3,14,25,16/rA:25nCCNCCCCCCCNNCOCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s3s10;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77898 |
Area: | 563.778 |
Solvation: | -6.31546 |
Coulombic: | -43.7865 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.33 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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