methyl 2-{[1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl]amino}benzoate
methyl 2-{[1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G539-0797 |
| Compound Name: | methyl 2-{[1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H25 F N2 O3 S |
| Smiles: | COC(c1ccccc1NC(N1CCc2c3CCCCc3sc2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5124 |
| logD: | 6.512 |
| logSw: | -5.7238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.097 |
| InChI Key: | GBBFLJIBMGYZKJ-HSZRJFAPSA-N |