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Chemical ID: 7021894
Chemical ID:
7021894
Name [?]:
2-hydroxy-N-(1-isopropyl-5-methoxy-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CC(C)N1c2ccc(cc2C(=NNC(=O)c3ccccc3O)C1=O)OC
InChi [?]:
InChI=1/C19H19N3O4/c1-11(2)22-15-9-8-12(26-3)10-14(15)17(19(22)25)20-21-18(24)13-6-4-5-7-16(13)23/h4-11,23H,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,18,19,17,20,7,6,9,2,8,16,10,5,21,11,14,23,12,13,4,22,15,24,25/E:(1,2)/rA:26nCCCNCCCCCCCNNCOCCCCCCOCOOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s4s11;d23;s8;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O4 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72102 |
Area: | 560.613 |
Solvation: | -5.2943 |
Coulombic: | -60.6893 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.372 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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