2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one
2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F409-0115 |
| Compound Name: | 2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C20 H20 F N5 O3 S3 |
| Smiles: | C1CN(CCN1C(CSc1ncc(c(N)n1)S(c1cccs1)(=O)=O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.3331 |
| logD: | 2.3331 |
| logSw: | -2.5934 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.35 |
| InChI Key: | KGFJEBNKPRQZSD-UHFFFAOYSA-N |