5-amino-4-(4-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Chemical Structure Depiction of
5-amino-4-(4-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
5-amino-4-(4-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-7317 |
| Compound Name: | 5-amino-4-(4-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile |
| Molecular Weight: | 427.45 |
| Molecular Formula: | C21 H18 F N3 O4 S |
| Smiles: | COc1cc(ccc1O)C1C(C#N)=C(N)N(C2CCS(C1=2)(=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6446 |
| logD: | 1.6441 |
| logSw: | -2.2756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.199 |
| InChI Key: | PPSAGMBHHOWANP-IBGZPJMESA-N |