2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide
2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 4300-0225 |
| Compound Name: | 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 451.34 |
| Molecular Formula: | C19 H19 Br N2 O4 S |
| Smiles: | COc1cc(C(Nc2c(C#N)c3CCCCc3s2)=O)c(c(c1OC)OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4608 |
| logD: | 2.4322 |
| logSw: | -4.3981 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | OUJSUQOWRLOQBC-UHFFFAOYSA-N |