3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]propanamide
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | M107-0395 |
| Compound Name: | 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C25 H26 F N5 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(CCc1ccccc1)c(n2)SCCC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8396 |
| logD: | 3.8395 |
| logSw: | -3.9055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.408 |
| InChI Key: | KRLXDICKCNOEHY-UHFFFAOYSA-N |