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Chemical ID: 6433660
Chemical ID:
6433660
Name [?]:
3-hydroxy-N-[(4-isopropoxyphenyl)methyleneamino]naphthalene-2-carboxamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C=NNC(=O)c2cc3ccccc3cc2O
InChi [?]:
InChI=1/C21H20N2O3/c1-14(2)26-18-9-7-15(8-10-18)13-22-23-21(25)19-11-16-5-3-4-6-17(16)12-20(19)24/h3-14,24H,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,19,22,7,9,6,10,17,24,11,2,8,18,23,5,16,25,14,12,13,26,15,4/E:(1,2)(7,8)(9,10)/rA:26nCCCOCCCCCCCNNCOCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79574 |
Area: | 561.489 |
Solvation: | -5.24148 |
Coulombic: | -43.6356 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.08 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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