Chemical ID: 5699662

Cc1ccc(cc1)Cn2c3c([nH]c2=NN=C(C)c4ccc(cc4)N(=O)=O)n(c(=O)nc3O)C
Chemical ID:
5699662
Name [?]:
6-hydroxy-3-methyl-8-[1-(4-nitrophenyl)ethylideneaminoimino]-7-(p-tolylmethyl)-9H-purin-2-one
SMILES [?]:
Cc1ccc(cc1)Cn2c3c([nH]c2=NN=C(C)c4ccc(cc4)N(=O)=O)n(c(=O)nc3O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21N7O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:7.47261
Area:640.827
Solvation:-8.54806
Coulombic:-77.6977
Bond Count [?]
All:36
Single:23
Double:13
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:447.447
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.29
LogP (Chemaxon):4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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