3-(3-chlorophenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6256 |
| Compound Name: | 3-(3-chlorophenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.84 |
| Molecular Formula: | C18 H21 Cl N4 O2 |
| Smiles: | CCCn1cnc2c1C(N(CC(C)C)C(N2c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4762 |
| logD: | 3.4762 |
| logSw: | -3.4998 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.796 |
| InChI Key: | YYFIYGZBNWWBNS-UHFFFAOYSA-N |