3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxybenzamide
Chemical Structure Depiction of
3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxybenzamide
3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | Y502-5635 |
| Compound Name: | 3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxybenzamide |
| Molecular Weight: | 497.41 |
| Molecular Formula: | C24 H21 Br N2 O3 S |
| Smiles: | COc1ccc(cc1COc1ccccc1[Br])C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7095 |
| logD: | 2.8702 |
| logSw: | -5.5042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.045 |
| InChI Key: | XLDIEDUULDUEPA-UHFFFAOYSA-N |