7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5224-0097 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 359.81 |
| Molecular Formula: | C17 H18 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(NCC=C)n2Cc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3174 |
| logD: | 3.3173 |
| logSw: | -3.7772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | VMUPKDMJEPRTEL-UHFFFAOYSA-N |