1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-3345 |
| Compound Name: | 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 441.45 |
| Molecular Formula: | C20 H23 N7 O5 |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0255 |
| logD: | 0.4202 |
| logSw: | -2.535 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.803 |
| InChI Key: | XFDGMNOQLVFOFP-UHFFFAOYSA-N |