Chemical ID: 6631970

COc1cccc(c1)C=NNC(=O)CNC(=O)c2cccc3c2cccc3
Chemical ID:
6631970
Name [?]:
N-[(3-methoxyphenyl)methyleneaminocarbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
COc1cccc(c1)C=NNC(=O)CNC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H19N3O3/c1-27-17-9-4-6-15(12-17)13-23-24-20(25)14-22-21(26)19-11-5-8-16-7-2-3-10-18(16)19/h2-13H,14H2,1H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,25,5,20,6,27,21,4,24,19,8,9,14,7,22,3,23,18,12,16,15,10,11,13,17,2/rA:27nCOCCCCCCCNNCOCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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:9.63388
Area:593.531
Solvation:-5.2044
Coulombic:-49.4549
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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