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Chemical ID: 4829363
Chemical ID:
4829363
Name [?]:
N-(1-butyl-2-oxo-indolin-3-ylidene)amino-2-phenyl-acetamide
SMILES [?]:
CCCCN1c2ccccc2C(=NNC(=O)Cc3ccccc3)C1=O
InChi [?]:
InChI=1/C20H21N3O2/c1-2-3-13-23-17-12-8-7-11-16(17)19(20(23)25)22-21-18(24)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,20,22,9,8,19,23,10,7,4,17,18,11,6,15,12,24,14,13,5,16,25/E:(5,6)(9,10)/rA:25nCCCCNCCCCCCCNNCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s5s12;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.79815 |
Area: | 577.715 |
Solvation: | -4.64473 |
Coulombic: | -37.4017 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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