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