7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4055-0244 |
| Compound Name: | 7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 242.66 |
| Molecular Formula: | C9 H11 Cl N4 O2 |
| Smiles: | CN1C(c2c(ncn2CC[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.364 |
| logD: | 0.364 |
| logSw: | -0.9368 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.21 |
| InChI Key: | QCIARNIKNKKHFH-UHFFFAOYSA-N |