5-amino-7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Chemical Structure Depiction of
5-amino-7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
5-amino-7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-7321 |
| Compound Name: | 5-amino-7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile |
| Molecular Weight: | 506.35 |
| Molecular Formula: | C21 H17 Br F N3 O4 S |
| Smiles: | COc1cc(cc(c1O)[Br])C1C(C#N)=C(N)N(C2CCS(C1=2)(=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4171 |
| logD: | 2.4095 |
| logSw: | -2.4436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.13 |
| InChI Key: | GGFUKEWFCDHTJP-SFHVURJKSA-N |