Chemical ID: 5232997

COc1ccccc1NC(=O)Cc2nc(nc(n2)O)O
Chemical ID:
5232997
Name [?]:
2-(4,6-dihydroxy-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccccc1NC(=O)Cc2nc(nc(n2)O)O
InChi [?]:
InChI=1/C12H12N4O4/c1-20-8-5-3-2-4-7(8)13-10(17)6-9-14-11(18)16-12(19)15-9/h2-5H,6H2,1H3,(H,13,17)(H2,14,15,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,12,8,3,13,10,15,17,9,14,18,16,11,20,19,2/E:(11,12)(14,15)(18,19)/rA:20nCOCCCCCCNCOCCNCNCNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N4O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.69856
Area:460.906
Solvation:-4.82409
Coulombic:-79.3186
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.248
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.33
LogP (Chemaxon):2.44

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