Chemical ID: 6631694

COc1ccccc1C=NNC(=O)CNC(=O)c2cccc3c2cccc3
Chemical ID:
6631694
Name [?]:
N-[(2-methoxyphenyl)methyleneaminocarbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
COc1ccccc1C=NNC(=O)CNC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H19N3O3/c1-27-19-12-5-3-8-16(19)13-23-24-20(25)14-22-21(26)18-11-6-9-15-7-2-4-10-17(15)18/h2-13H,14H2,1H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,6,25,5,20,27,7,21,24,19,4,9,14,22,8,23,18,3,12,16,15,10,11,13,17,2/rA:27nCOCCCCCCCNNCOCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.74613
Area:588.567
Solvation:-4.96803
Coulombic:-50.081
Bond Count [?]
All:29
Single:18
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:361.394
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.35
LogP (Chemaxon):2.92

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