Chemical ID: 6182228

COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2cccc3c2cccc3)OC
Chemical ID:
6182228
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2cccc3c2cccc3)OC
InChi [?]:
InChI=1/C22H21N3O4/c1-28-17-10-11-20(29-2)16(12-17)13-24-25-21(26)14-23-22(27)19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,26,25,20,27,21,24,19,4,5,8,9,14,22,7,3,23,18,6,12,16,15,10,11,13,17,2,28/rA:29nCOCCCCCCCNNCOCNCOCCCCCCCCCCOC/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;s6;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.50565
Area:626.773
Solvation:-6.16366
Coulombic:-56.0322
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:391.42
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.26
LogP (Chemaxon):2.66

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Descriptor Annotations

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