7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0333 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 407.83 |
| Molecular Formula: | C18 H19 Cl F N5 O3 |
| Smiles: | CN1C(c2c(nc(N3CCOCC3)n2Cc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9936 |
| logD: | 2.9935 |
| logSw: | -3.4396 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.606 |
| InChI Key: | SHBFDBBHQMJTDX-UHFFFAOYSA-N |