7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0083 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 375.86 |
| Molecular Formula: | C18 H22 Cl N5 O2 |
| Smiles: | CC(C)CNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1338 |
| logD: | 4.1337 |
| logSw: | -4.3506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.118 |
| InChI Key: | RYUXVRXLMXXQHA-UHFFFAOYSA-N |