8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-2364 |
| Compound Name: | 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 377.74 |
| Molecular Formula: | C15 H12 Cl N5 O5 |
| Smiles: | CN1C(c2c(nc(n2CC(c2cccc(c2)[N+]([O-])=O)=O)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.363 |
| logD: | 2.363 |
| logSw: | -3.3066 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.552 |
| InChI Key: | LOXFSYFWBLKBPD-UHFFFAOYSA-N |