Chemical ID: 6964364

COc1ccc(cc1)NCC(=O)NN=Cc2cccc3c2cccc3
Chemical ID:
6964364
Name [?]:
2-(4-methoxyphenyl)amino-N-(1-naphthylmethyleneamino)acetamide
SMILES [?]:
COc1ccc(cc1)NCC(=O)NN=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H19N3O2/c1-25-18-11-9-17(10-12-18)21-14-20(24)23-22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-13,21H,14H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,18,25,19,17,22,5,7,4,8,15,10,20,16,6,3,21,11,9,14,13,12,2/E:(9,10)(11,12)/rA:25nCOCCCCCCNCCONNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O2
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.69994
Area:564.63
Solvation:-5.4158
Coulombic:-38.842
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:333.384
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.59
LogP (Chemaxon):3.59

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Descriptor Annotations

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