3-methyl-7-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0101 |
| Compound Name: | 3-methyl-7-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C22 H25 N7 O2 S2 |
| Smiles: | Cc1csc(n1)SCCn1c2C(NC(N(C)c2nc1N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6602 |
| logD: | 3.6601 |
| logSw: | -3.768 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.023 |
| InChI Key: | UWXNMXLWNGPUNJ-UHFFFAOYSA-N |