N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8006-4680 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.918 |
| logD: | -0.3632 |
| logSw: | -4.3669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.181 |
| InChI Key: | HBLKZHPDMSAGFG-UHFFFAOYSA-N |