Chemical ID: 4590649

Cc1ccc(cc1)Cn2c3c(=O)[nH]c(=O)n(c3nc2NN=C(C)c4ccc(cc4)[N+](=O)[O-])C
Chemical ID:
4590649
Name [?]:
3-methyl-8-[1-(4-nitrophenyl)ethylideneaminoamino]-7-(p-tolylmethyl)purine-2,6-dione
SMILES [?]:
Cc1ccc(cc1)Cn2c3c(=O)[nH]c(=O)n(c3nc2NN=C(C)c4ccc(cc4)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21N7O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:7.67914
Area:670.487
Solvation:-9.08303
Coulombic:-74.6448
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:447.447
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.23
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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