2-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
2-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide
2-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 3992-0667 |
| Compound Name: | 2-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 465.36 |
| Molecular Formula: | C20 H21 Br N2 O4 S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cc(c(c(c3[Br])OC)OC)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8948 |
| logD: | 2.8662 |
| logSw: | -4.6598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | GINCGRMOTSXIQE-SNVBAGLBSA-N |