8-(butylamino)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(butylamino)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(butylamino)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0002 |
| Compound Name: | 8-(butylamino)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 375.86 |
| Molecular Formula: | C18 H22 Cl N5 O2 |
| Smiles: | CCCCNc1nc2c(C(N(Cc3ccc(cc3)[Cl])C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.7529 |
| logD: | 3.7518 |
| logSw: | -4.2047 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.004 |
| InChI Key: | AENSSGODZLZMCP-UHFFFAOYSA-N |