Chemical ID: 6433660

CC(C)Oc1ccc(cc1)C=NNC(=O)c2cc3ccccc3cc2O
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

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