7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2713-0044 |
| Compound Name: | 7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 228.63 |
| Molecular Formula: | C8 H9 Cl N4 O2 |
| Smiles: | CN1C(NC(c2c1ncn2CC[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0384 |
| logD: | -0.0392 |
| logSw: | -1.6458 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.124 |
| InChI Key: | BVELTQAHMSSWFZ-UHFFFAOYSA-N |