8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione

Chemical Structure Depiction of
8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Available: 2 mg
Amount:
mg
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Compound characteristics

Compound ID: 3601-0843
Compound Name: 8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Molecular Weight: 349.73
Molecular Formula: C14 H12 Cl N5 O4
Smiles: CN1C(c2c(nc(n2Cc2ccc(cc2)[N+]([O-])=O)[Cl])N(C)C1=O)=O
Stereo: ACHIRAL
logP: 2.6204
logD: 2.6204
logSw: -3.1197
Hydrogen bond acceptors count: 9
Polar surface area: 77.305
InChI Key: XKRHRNHJGNHEPT-UHFFFAOYSA-N
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