Chemical ID: 6302412

COc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc3ccccc3c2
Chemical ID:
6302412
Name [?]:
N-(4-methoxyphenyl)-N'-(2-naphthylmethyleneamino)oxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H17N3O3/c1-26-18-10-8-17(9-11-18)22-19(24)20(25)23-21-13-14-6-7-15-4-2-3-5-16(15)12-14/h2-13H,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,18,19,5,7,4,8,26,16,17,20,25,6,3,10,12,15,9,14,11,13,2/E:(8,9)(10,11)/rA:26nCOCCCCCCNCOCONNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.79742
Area:561.034
Solvation:-4.22843
Coulombic:-52.6335
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:347.367
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.21
LogP (Chemaxon):3.73

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Descriptor Annotations

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