Chemical ID: 6400550

COc1ccc(cc1OC)C=NNC(=O)c2cccc3c2cccc3
Chemical ID:
6400550
Name [?]:
N-[(3,4-dimethoxyphenyl)methyleneamino]naphthalene-1-carboxamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C20H18N2O3/c1-24-18-11-10-14(12-19(18)25-2)13-21-22-20(23)17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,24,23,18,25,19,22,17,5,4,7,11,6,20,21,16,3,8,14,12,13,15,2,9/rA:25nCOCCCCCCOCCNNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.02182
Area:539.163
Solvation:-6.45726
Coulombic:-34.911
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:334.369
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.82
LogP (Chemaxon):3.74

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