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Chemical ID: 6182228
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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