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Chemical ID: 4613806
Chemical ID:
4613806
Name [?]:
2-hydroxy-N-[(1-isopropyl-2-oxo-indolin-3-ylidene)aminocarbamoylmethyl]benzamide
SMILES [?]:
CC(C)N1c2ccccc2C(=NNC(=O)CNC(=O)c3ccccc3O)C1=O
InChi [?]:
InChI=1/C20H20N4O4/c1-12(2)24-15-9-5-3-7-13(15)18(20(24)28)23-22-17(26)11-21-19(27)14-8-4-6-10-16(14)25/h3-10,12,25H,11H2,1-2H3,(H,21,27)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,3,8,22,7,23,9,21,6,24,16,2,10,20,5,25,14,11,18,27,17,13,12,4,26,15,19,28/E:(1,2)/rA:28nCCCNCCCCCCCNNCOCNCOCCCCCCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s4s11;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N4O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40264 |
Area: | 611.583 |
Solvation: | -5.88693 |
Coulombic: | -73.9573 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.397 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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