7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2545-1546 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C17 H17 Cl N4 O3 S |
| Smiles: | CC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1358 |
| logD: | 3.1358 |
| logSw: | -3.4485 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.621 |
| InChI Key: | KRDCEMKJWGJLMK-UHFFFAOYSA-N |