7-[(4-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0354 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 389.84 |
| Molecular Formula: | C18 H20 Cl N5 O3 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCOCC1)n2Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8217 |
| logD: | 1.8196 |
| logSw: | -2.8305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.235 |
| InChI Key: | XGSVQJRTRMSMHK-UHFFFAOYSA-N |