3-fluoro-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
3-fluoro-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide
3-fluoro-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | C301-9147 |
| Compound Name: | 3-fluoro-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C21 H18 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccc(cc2)NC(c2cccc(c2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5918 |
| logD: | 3.591 |
| logSw: | -3.9442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.187 |
| InChI Key: | IPQQXXBPLLMUJG-UHFFFAOYSA-N |