2-[7-(2-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[7-(2-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[7-(2-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F986-0584 |
| Compound Name: | 2-[7-(2-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C22 H19 F N4 O3 S |
| Smiles: | CSc1ccc(CNC(CN2C(c3c(c(c[nH]3)c3ccccc3F)NC2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0942 |
| logD: | 3.0939 |
| logSw: | -3.5827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.445 |
| InChI Key: | OTPBPDYLLUWLRL-UHFFFAOYSA-N |